data_2duw_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 2duw _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 pt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 53.13 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.11 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 61.21 111.072 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.13 -31.59 51.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 64.3 112.477 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.28 -37.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 73.55 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.75 -35.25 44.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.925 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -76.18 -27.74 57.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.15 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 t -82.25 -63.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.81 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -128.34 124.26 36.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.117 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -107.24 104.31 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -139.26 118.4 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.01 111.144 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.45 126.14 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.33 111.177 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.04 127.97 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 64.32 111.093 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.4 135.47 39.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.53 126.45 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.22 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.06 43.76 38.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 64.22 112.47 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.11 95.94 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 60.31 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -106.33 -169.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.846 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.85 44.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.11 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -109.8 83.47 2.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 74.32 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.89 17.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 74.22 112.316 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -98.05 22.81 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.876 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -128.09 159.84 64.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 74.14 110.874 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 61.21 112.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 m -74.37 -23.84 59.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.821 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -88.6 -48.91 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.905 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -33.95 60.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.02 110.856 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.24 -31.08 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.02 111.089 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.4 ttm -65.45 -66.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.846 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -24.01 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.922 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.52 -46.17 70.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.904 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.77 -29.31 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.928 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.12 -46.76 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.886 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.56 -40.16 88.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 64.31 110.893 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -56.49 -25.35 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.99 39.7 3.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 51.43 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.38 153.99 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 60.13 110.9 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -73.08 104.96 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.2 t -101.67 129.88 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 72.03 111.122 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -127.49 77.35 76.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 74.54 111.091 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 126.5 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.726 2.284 . . . . 74.51 112.346 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.87 122.1 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.01 111.114 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.42 46.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 75.32 110.916 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 54.55 112.359 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -103.77 -32.46 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 1.96 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.53 111.119 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.17 99.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.082 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.84 18.89 33.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.677 -0.773 . . . . 75.43 112.522 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -127.18 177.56 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 73.31 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.74 121.02 41.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.83 105.78 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt 60.1 26.01 15.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.77 -10.04 68.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.69 -0.766 . . . . 72.52 112.493 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -94.74 131.48 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 72.53 110.923 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -60.31 136.0 57.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.96 158.71 23.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 52.44 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.2 141.79 26.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 73.33 110.937 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.52 -32.3 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.072 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.0 p -149.02 154.35 39.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.54 111.114 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -15.37 61.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 11.01 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.25 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -110.94 -21.17 12.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.87 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.64 133.09 53.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 73.14 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -42.17 3.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 75.11 112.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.1 135.41 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.3 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -80.67 123.86 28.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.05 140.48 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.24 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.41 -26.38 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.864 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ttp -144.87 113.98 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.872 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -90.39 113.92 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.112 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.65 104.2 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.913 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.17 105.13 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.126 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -122.22 -5.17 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -52.02 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.15 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -149.48 -178.24 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.86 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.9 p -74.11 -59.63 2.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 71.1 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.66 -26.29 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.41 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.75 -30.46 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.103 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.55 -35.83 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.126 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -67.15 -54.43 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.96 -42.28 98.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.435 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.6 -25.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 65.13 111.114 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.39 -55.89 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -54.1 -44.16 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.07 -45.87 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.38 73.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.094 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.95 -26.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.04 -50.68 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.128 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.2 pt -71.66 -25.18 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 75.22 111.105 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.96 54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.473 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.91 -178.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.33 111.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -133.6 -40.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -134.01 158.23 44.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.125 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 tp -142.7 122.43 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -118.79 127.54 53.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.892 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.86 -169.97 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.09 142.49 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.78 133.39 39.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.22 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -12.72 56.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 73.03 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.95 151.94 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 74.11 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.59 117.52 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.133 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -125.81 98.58 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.87 -29.59 69.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.889 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -49.22 70.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.896 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.35 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.02 111.048 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.1 -51.11 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.074 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.45 -32.39 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 70.34 111.104 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.91 -28.48 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.4 -39.31 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 54.11 111.13 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -54.94 -36.31 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.836 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -52.88 -29.21 26.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.76 -23.52 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.41 37.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.476 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tp -51.92 148.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 74.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 98.45 10.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.918 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -91.64 131.19 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.33 105.95 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 61.53 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.42 168.18 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.81 40.1 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.848 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -151.07 136.75 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.4 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.58 149.7 68.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 71.01 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 65.25 112.363 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.28 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.098 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.158 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 pt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.863 0.363 . . . . 74.04 111.166 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -35.64 63.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 73.24 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.07 -31.69 51.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 55.15 112.481 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -76.18 -36.53 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 65.42 111.115 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -31.33 45.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.935 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -81.52 -25.75 35.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.107 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 t -81.54 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.89 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.47 135.42 49.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.185 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -110.53 103.5 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m -139.83 143.54 36.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.148 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.43 136.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.142 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.65 135.57 53.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 61.34 111.113 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -108.79 135.37 50.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.4 p -99.33 135.8 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.88 60.85 6.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 70.03 112.521 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.68 90.13 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 72.42 111.093 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -106.92 -168.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.66 43.27 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.865 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -109.68 83.94 2.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.582 0.706 . . . . 73.32 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 70.41 112.315 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -98.15 23.88 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -128.61 160.49 62.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 72.35 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.42 36.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 71.24 112.344 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -77.41 -27.7 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.63 -45.53 10.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.25 -32.82 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.09 -38.8 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 54.42 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.3 ttm -54.77 -57.17 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -66.76 -22.04 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.07 -51.36 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.5 mt -73.28 -25.44 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.66 -44.16 35.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.92 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.83 -40.44 79.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.75 -25.35 54.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.08 38.33 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 55.23 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -116.33 164.83 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 65.41 110.933 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -82.82 117.3 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.67 140.06 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.137 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.83 76.86 76.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.621 0.724 . . . . 75.55 111.111 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.99 13.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 74.21 112.312 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.01 122.54 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 74.52 111.108 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.31 152.44 46.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 75.1 110.883 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 73.41 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -106.25 -33.65 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 -6.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.124 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.7 103.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.15 111.138 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.48 19.75 21.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 74.11 112.493 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 177.46 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.34 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.4 114.45 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.32 111.143 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -110.57 117.61 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.944 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt 62.78 25.64 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.52 -2.56 86.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 73.24 112.484 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -94.82 143.86 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 74.32 110.942 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -72.02 139.53 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.942 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.03 153.44 20.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.717 . . . . 71.24 112.505 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -147.01 137.99 23.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 73.32 110.939 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.11 -25.4 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 111.111 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -169.56 161.86 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.41 111.166 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -15.68 60.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.882 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 11.98 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.118 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -113.14 -21.07 11.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.845 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.26 133.08 37.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 73.41 111.142 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -42.29 3.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 74.34 112.37 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.88 140.06 53.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -95.72 126.11 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.88 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.55 144.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.097 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.69 -21.38 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttm -145.48 114.73 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.31 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -97.47 112.89 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 65.11 111.153 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -99.11 115.43 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.7 t -97.82 117.31 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -119.23 -11.14 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.923 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -51.35 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.898 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -176.23 177.46 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.9 p -70.74 -53.64 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 72.13 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -55.16 -29.65 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.881 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.4 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.75 -44.42 63.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -65.41 -52.83 50.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.47 60.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 60.04 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.7 t -78.28 -39.65 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 74.44 111.143 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.27 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.119 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -55.01 -41.04 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.873 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.3 -45.74 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.58 81.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.03 111.119 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.95 -30.98 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.24 111.162 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.81 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.106 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -74.09 -25.33 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.146 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.98 52.13 0.91 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.492 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.9 -179.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 73.12 111.091 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -123.16 -37.34 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.915 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -148.14 158.57 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.54 111.115 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -136.21 132.27 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.95 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -131.38 128.62 39.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.945 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.6 mt -107.54 -170.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -81.83 145.35 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 128.53 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.58 -16.08 34.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 74.52 112.496 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.89 150.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 71.31 111.119 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.9 mt -134.6 115.83 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.143 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.75 87.4 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.89 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.24 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 71.21 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.24 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.088 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.68 -41.15 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 73.23 111.169 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.2 tp -53.61 -60.34 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.85 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.083 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -63.21 -34.46 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.41 -41.62 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.06 -24.19 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.1 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.05 -6.1 50.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 73.41 112.488 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -51.63 156.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 73.23 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.94 95.78 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.88 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.58 123.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.112 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.3 t -133.54 105.77 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.51 179.98 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.88 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 51.91 36.54 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -151.1 136.38 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.3 130.68 19.27 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.645 0.736 . . . . 65.01 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.58 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 61.02 112.312 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.38 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.3 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.01 111.15 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 74.24 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.78 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.14 111.126 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.85 -32.05 51.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.5 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.51 -31.57 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 74.42 111.15 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.71 -29.62 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.924 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -82.81 -24.34 33.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -81.68 -65.39 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.852 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.1 m -128.49 144.53 51.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 71.02 111.129 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -116.42 102.76 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.8 m -140.6 143.53 35.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.14 111.124 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.17 120.47 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.14 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.82 122.24 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.03 111.1 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.21 127.55 36.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.958 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.07 115.5 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.31 111.136 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.44 59.72 1.71 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 50.41 112.503 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 94.12 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 74.43 111.144 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -102.69 -169.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -94.8 44.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 70.43 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -109.95 83.46 2.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.34 18.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 74.4 112.334 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.82 23.11 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -126.04 161.04 53.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.582 0.706 . . . . 72.53 110.86 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.81 36.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 75.04 112.363 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -77.19 -27.49 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.74 -46.12 9.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.938 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -33.34 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 75.44 110.869 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.0 -36.13 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.123 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -62.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -63.24 -22.09 66.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.898 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -70.91 -47.12 60.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.954 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.4 -34.92 76.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.901 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -46.76 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.903 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.82 -55.67 24.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.86 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.82 -25.45 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 65.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.72 60.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 74.43 112.534 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -127.85 155.35 44.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 74.22 110.923 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.874 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.87 134.65 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.144 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.37 77.91 76.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 72.41 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 128.9 16.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 75.02 112.341 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.18 121.95 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.41 111.112 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.78 152.53 44.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 73.43 110.88 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.45 28.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 60.12 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -106.26 -33.46 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 72.13 110.869 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.1 p -77.57 -9.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 73.32 111.152 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.31 102.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 64.13 111.115 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.36 17.38 20.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.497 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -133.85 177.72 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 74.22 110.889 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 108.24 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 72.41 111.095 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mt -98.1 111.15 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.886 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt 62.14 25.22 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.901 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.33 77.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.44 112.494 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -94.94 141.39 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -66.02 143.76 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.882 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.91 156.38 20.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.488 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -149.98 133.72 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.41 110.91 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.063 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -145.47 148.31 33.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.55 111.193 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -19.49 65.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.931 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.05 -12.75 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 63.35 111.113 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -89.14 -31.49 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.03 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.36 108.52 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 75.23 111.099 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -43.35 2.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 74.51 112.359 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.24 110.6 5.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -52.03 118.91 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.1 p -74.09 148.1 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.61 -32.12 11.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.49 125.9 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.844 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.53 131.47 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.135 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.34 151.24 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.844 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.18 119.43 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -118.8 -10.34 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.881 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -51.61 -72.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -157.34 170.64 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -72.56 -57.47 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.75 -27.46 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 71.35 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -23.6 65.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 75.33 111.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 72.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -67.67 -54.4 19.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.926 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.24 -37.9 75.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.75 . . . . 65.35 112.528 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.0 -30.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 74.34 111.154 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.5 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.84 -42.65 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.938 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.31 87.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.13 111.093 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.23 -29.69 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 55.22 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.64 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.54 111.072 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.2 pt -76.32 -30.51 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.73 80.7 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 73.31 112.482 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.89 -169.63 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 71.32 111.112 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.42 -43.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.914 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.69 158.23 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 71.02 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.4 tp -138.72 105.85 5.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -103.63 137.94 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.923 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.6 mt -111.17 -179.26 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -87.13 139.21 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.94 135.84 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.23 18.04 65.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 55.53 112.518 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.43 127.74 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 73.22 111.118 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.9 mm -129.19 115.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.156 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -120.72 91.82 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.891 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -52.01 -36.8 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -52.73 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 64.21 110.927 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.93 40.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 64.34 111.085 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.7 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 70.22 111.074 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.0 -47.63 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 70.51 111.129 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.92 -52.22 51.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.92 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.45 76.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.102 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.38 -46.2 89.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.14 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.69 39.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 74.05 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.84 153.82 2.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 75.43 110.912 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -91.12 95.85 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.59 130.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.96 112.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.12 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.51 178.53 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.25 30.45 7.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.13 161.31 37.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 72.15 110.881 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.5 t -156.71 129.46 4.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 63.31 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -22.9 31.17 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.258 . . . . 74.05 112.352 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.55 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.24 111.069 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.128 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 73.1 111.125 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.7 68.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 60.12 111.049 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.91 -33.06 47.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 65.55 112.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.38 -30.99 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 74.22 111.112 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -28.02 25.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.924 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -86.23 -21.6 27.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -84.91 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.49 140.4 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.103 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -110.24 103.75 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.1 m -139.56 143.68 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.141 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.57 134.84 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.45 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.53 141.48 51.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.093 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.7 tp -115.87 135.37 54.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.918 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.1 106.52 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.03 111.165 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.07 59.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 63.53 112.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.39 135.1 38.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 75.51 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -150.74 -169.51 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 65.13 110.857 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.54 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -110.06 83.19 2.85 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 65.42 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.17 17.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.262 . . . . 74.31 112.343 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.05 24.94 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -129.1 159.09 70.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 72.13 110.845 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -16.71 37.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 74.2 112.381 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -25.52 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.88 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.37 -46.99 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.922 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -53.68 -34.64 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 74.04 110.866 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.23 -39.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 72.51 111.095 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttp -54.35 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.885 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.34 -20.26 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.97 -49.47 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.892 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.5 mt -70.85 -28.62 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.38 -43.28 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.917 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 75.21 110.882 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -56.85 -25.29 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.43 44.11 1.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 61.14 112.473 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -125.35 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 73.53 110.943 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.17 121.93 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.33 131.6 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.43 111.174 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mt -124.91 75.25 66.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.639 0.733 . . . . 72.24 111.186 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.54 33.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 75.32 112.337 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.83 122.31 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.02 111.114 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 152.53 46.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 74.34 110.85 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.7 24.28 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 74.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -106.21 -34.0 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 72.2 110.944 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.94 -7.75 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.3 111.113 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.6 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.103 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.86 19.03 20.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 72.02 112.467 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -134.18 177.63 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 74.22 110.926 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.97 117.96 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.24 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -108.18 114.67 28.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 mt 58.75 25.92 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.936 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.31 6.4 68.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 72.05 112.463 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -103.21 131.29 50.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 72.25 110.872 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -62.18 141.59 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.22 154.62 20.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 75.41 112.522 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -147.15 137.13 23.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.914 0.387 . . . . 75.23 110.938 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.54 -31.04 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 74.2 111.098 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 t -157.68 151.49 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.149 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -18.23 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 61.15 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.57 -18.37 64.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.99 -31.01 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.823 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -50.4 108.47 1.03 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.643 0.735 . . . . 73.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.39 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 72.11 112.38 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -66.5 118.54 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 65.13 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -70.62 116.07 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.849 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.58 144.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.113 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.91 -24.23 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 63.42 110.849 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.0 ttm -143.45 118.77 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.88 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.9 t -103.01 115.58 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.111 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.32 138.18 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.899 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.83 119.02 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.156 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -119.74 -9.02 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.869 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.66 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -168.15 171.76 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -68.0 -59.08 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 51.03 110.862 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.82 -28.09 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.21 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.63 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.089 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -41.58 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 63.43 111.136 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -67.75 -52.97 31.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.16 -38.51 77.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.476 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.3 t -78.92 -33.69 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 63.33 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.65 -55.48 34.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.093 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.15 -42.5 63.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.918 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.79 -44.56 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.858 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.72 77.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.55 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.92 -23.7 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 74.21 111.105 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.62 -51.42 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.11 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.35 -30.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.11 111.136 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.01 52.6 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.811 -0.709 . . . . 72.54 112.509 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.57 177.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 61.44 111.109 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -117.88 -30.16 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.1 m -152.82 158.1 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.6 tp -133.37 114.09 13.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -115.68 136.74 52.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.931 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 mt -112.09 179.04 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.27 134.4 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.88 127.08 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.96 18.21 16.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 62.02 112.463 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -117.97 144.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 74.45 111.173 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -142.6 101.36 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -128.09 87.99 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 71.25 110.904 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.83 -34.17 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.18 94.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.903 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.116 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.087 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.98 -43.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 65.32 111.172 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -51.98 -43.85 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 64.53 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.35 -29.26 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.059 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -70.69 -37.45 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.885 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.31 -35.65 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.23 -24.29 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.42 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.44 -10.25 33.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 73.11 112.445 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tp -51.75 153.46 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.802 0.334 . . . . 73.51 110.873 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -88.45 99.91 12.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.877 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.62 127.56 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.02 111.128 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.13 109.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.3 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.86 -177.53 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.854 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.86 39.69 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 52.51 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -142.0 149.96 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.906 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.9 t -153.66 129.5 5.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.557 0.694 . . . . 74.12 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.92 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 74.5 112.366 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.93 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.101 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.142 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.853 0.359 . . . . 73.54 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.52 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.077 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.02 -32.08 50.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 75.2 112.514 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.02 -36.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 74.21 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -31.61 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.941 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -81.15 -25.87 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.14 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -81.83 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.837 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -128.47 134.2 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.54 111.153 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -108.84 103.38 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.843 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.8 m -139.75 142.07 36.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.176 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.07 136.06 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.095 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.24 143.33 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.132 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -115.74 135.4 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.33 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.44 119.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 64.54 111.128 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.83 61.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 70.32 112.48 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 115.76 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 73.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 p -131.23 -176.02 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.869 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.38 43.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 54.02 110.887 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -109.82 83.69 2.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.13 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.28 18.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 71.21 112.352 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -96.87 24.49 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.887 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -130.23 160.04 67.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 75.25 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -20.44 34.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.31 112.33 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -24.86 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.42 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.14 -48.91 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.968 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -54.8 -35.05 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.22 -31.95 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.111 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -62.77 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.89 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.52 -21.53 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 75.1 110.925 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.46 -47.36 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.925 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.4 110.914 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.38 -46.22 56.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.877 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.48 -41.06 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -57.07 -25.25 58.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.916 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.56 42.46 2.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.33 112.529 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -120.11 157.89 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 75.44 110.904 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -79.23 114.62 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 74.15 110.853 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.51 133.64 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.02 111.135 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -128.66 77.01 78.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 75.03 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.01 36.78 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 71.02 112.351 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.25 122.38 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.12 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.46 151.9 44.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 64.24 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.71 26.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 75.41 112.319 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -106.4 -32.76 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.91 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -79.02 -9.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.32 104.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.076 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.93 18.79 23.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 62.12 112.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -133.02 177.58 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 74.55 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.96 119.88 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.41 111.168 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.76 113.5 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 mt 62.8 27.8 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.01 -0.06 85.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 55.33 112.498 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -95.15 138.42 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 75.45 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.91 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.77 153.47 20.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 53.33 112.509 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -146.07 136.0 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 72.42 110.889 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -25.37 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 75.43 111.095 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -168.05 156.07 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.02 111.124 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -25.8 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.901 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.75 0.5 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.151 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.71 -20.07 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.896 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.57 133.03 20.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 74.54 111.17 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.27 3.58 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.385 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.19 139.78 28.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -102.9 118.87 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.11 142.71 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.137 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.76 -24.18 17.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.905 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.1 ttm -142.74 113.93 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.857 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -95.86 111.1 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -97.99 132.53 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.56 125.6 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 61.15 111.131 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -131.07 9.03 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -64.77 -73.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.886 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -161.96 179.19 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.861 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -74.32 -60.29 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.833 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.65 -25.67 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.94 -23.59 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.55 111.116 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -38.57 54.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.074 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -68.14 -54.48 17.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 72.54 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.98 -39.1 67.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -75.0 -33.18 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 74.02 111.153 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -58.02 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 71.45 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.69 -42.59 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.938 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.8 -38.89 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.901 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.01 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.084 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.85 -29.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.51 111.123 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.29 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.088 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.7 pt -70.62 -24.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.123 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.64 49.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.442 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.68 -176.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 72.33 111.101 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -127.84 -37.93 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.59 158.46 44.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.168 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 tp -140.54 103.79 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -99.91 137.02 38.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.906 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.75 -173.99 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 74.25 110.971 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -86.56 151.88 23.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.48 142.8 56.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.16 74.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 74.01 112.504 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.17 100.82 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 72.41 111.1 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mt -99.31 109.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -113.77 87.39 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.68 -35.71 55.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -52.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.82 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 62.22 111.121 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.34 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.42 111.129 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.14 -44.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.129 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.51 -52.18 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.925 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.63 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.105 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.85 -24.98 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.18 -33.38 67.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.63 -24.38 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.092 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.64 -6.83 33.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 71.35 112.464 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 tp -51.87 164.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.325 . . . . 70.12 110.964 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -103.04 95.68 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.3 110.83 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -91.54 140.43 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 75.21 111.131 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.62 108.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 63.31 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.13 175.07 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.919 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.8 t0 60.44 31.36 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.876 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -143.83 168.24 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.07 138.46 3.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.41 110.893 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.3 28.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 74.31 112.318 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.05 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.1 mm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.05 111.132 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.8 pt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.825 0.345 . . . . 75.23 111.157 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.37 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 53.12 111.115 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.42 -32.95 49.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.509 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.39 -30.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 111.158 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.12 -27.38 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.926 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -87.71 -20.71 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.131 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -85.42 -67.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.872 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -128.54 132.15 48.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -109.01 104.02 13.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 m -139.43 141.62 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.169 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.49 136.42 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.106 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.06 131.71 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 50.25 111.095 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 135.45 39.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.04 119.6 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.45 111.145 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.38 48.11 5.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.475 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.3 119.73 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 63.24 111.096 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -123.96 -175.51 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.859 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.29 43.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 64.23 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.93 87.55 4.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 72.04 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 71.23 112.34 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.44 23.93 11.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.88 160.78 47.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 73.13 110.856 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.77 36.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 74.54 112.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -76.95 -27.3 54.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -88.19 -45.59 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.908 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -53.48 -33.4 54.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 65.45 110.857 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.1 p -77.15 -36.2 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.138 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttm -58.53 -61.7 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -64.56 -21.05 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.65 -47.27 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.36 -40.56 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.05 -46.84 87.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.66 -53.73 54.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 70.23 110.816 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -57.56 -25.38 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.29 53.91 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 63.1 112.494 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -124.33 168.25 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 74.44 110.926 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.07 114.38 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.889 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.89 142.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.05 111.166 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -129.44 77.96 76.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 74.43 111.144 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.83 12.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 73.12 112.322 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.83 122.21 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.147 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 152.86 47.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 75.33 110.906 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.72 24.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 75.11 112.335 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.31 -34.25 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 -5.74 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.124 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.22 100.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.067 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.38 20.46 15.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 72.1 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -136.89 170.55 15.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 75.32 110.912 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 119.62 35.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.183 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -111.38 116.95 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.936 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt 58.34 22.88 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.52 110.932 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.48 6.46 66.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 55.33 112.478 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -105.98 133.85 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 74.24 110.912 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.61 142.11 57.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.855 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.95 155.47 20.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 73.55 112.485 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -148.23 138.49 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 73.11 110.933 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.35 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.116 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -161.26 152.14 18.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.33 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -15.51 61.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.894 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 11.76 21.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.166 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -113.08 -20.6 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.876 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.7 133.16 49.76 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 75.52 111.095 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.08 3.69 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 74.1 112.369 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.76 151.52 45.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -101.13 144.52 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.29 144.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.078 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -91.93 -37.43 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 ttp -140.35 114.16 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.3 t -80.77 106.9 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 75.05 111.136 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.65 99.7 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.8 107.46 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.143 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -119.8 -9.29 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -51.55 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -174.77 178.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.3 110.887 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.5 p -68.11 -53.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.12 -36.63 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.834 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.87 -28.7 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.21 111.073 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -42.61 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.53 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -63.09 -54.48 37.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.909 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.76 -39.24 61.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 72.25 112.523 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.93 -34.27 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 75.2 111.078 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.66 -54.21 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.048 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.45 -42.03 91.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.59 -45.96 88.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.38 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.31 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.54 -28.44 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.32 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.15 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.22 111.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 pt -83.01 -27.83 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.31 111.132 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.79 58.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.474 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.25 -169.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 75.32 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -130.0 -40.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.11 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -142.1 158.43 43.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.117 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.07 121.89 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.937 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.37 126.93 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 64.53 110.866 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.3 mt -99.95 -175.51 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -85.85 135.21 33.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.2 125.05 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.19 20.28 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 54.21 112.499 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -116.32 145.32 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 74.2 111.127 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 61.9 mt -143.33 101.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 72.34 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -120.35 90.84 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.922 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -53.08 -32.78 48.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -53.71 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.22 -27.72 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.126 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.16 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.088 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.6 t -73.35 -43.32 56.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.085 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.82 -53.75 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.21 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 64.14 111.118 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -67.68 -31.33 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.81 -47.79 76.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.75 -24.23 38.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 72.52 111.154 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.98 -5.39 36.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 61.44 112.488 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.88 163.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 65.12 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.43 95.48 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.853 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -91.65 143.28 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.7 t -144.71 109.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.44 111.108 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.79 177.19 4.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.931 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 t70 51.95 35.01 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 62.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -144.79 159.32 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -158.3 133.09 5.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 75.33 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.59 37.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 73.44 112.318 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.45 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.15 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.838 0.351 . . . . 74.54 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.51 111.155 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.71 -34.12 44.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 75.32 112.526 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.86 -30.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 75.22 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 -26.97 26.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.941 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -87.88 -21.65 24.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 75.13 111.142 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 t -84.14 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -128.34 143.52 51.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.23 111.153 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.51 103.93 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -139.48 143.46 37.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 72.04 111.133 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.26 118.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.12 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.85 124.95 53.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.12 111.088 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -94.28 135.45 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.73 117.5 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.112 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.23 74.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.12 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.03 155.07 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 74.32 111.11 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -168.62 -169.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -95.0 44.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -109.91 83.41 2.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 74.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 74.52 112.374 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -97.34 24.82 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.831 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -132.43 159.53 71.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.55 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.39 35.89 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 64.42 112.344 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -26.21 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 70.23 110.889 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.52 -46.72 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.912 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -53.44 -34.05 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.5 t -77.32 -36.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.1 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ttt -57.81 -63.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.17 -22.31 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.923 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.0 -51.37 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.06 -35.65 81.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.935 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.62 -37.92 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.76 -55.84 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -59.45 -25.37 64.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 71.25 0.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 53.34 112.528 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -136.45 168.89 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 72.42 110.9 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -89.79 103.74 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.25 130.08 50.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 75.12 111.128 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mt -129.42 79.37 74.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 75.2 111.169 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 149.38 67.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 75.52 112.396 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.13 121.75 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 75.23 111.1 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.73 151.87 43.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 74.33 110.863 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.86 31.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 54.52 112.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -106.54 -26.36 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.918 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.01 11.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.12 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.41 82.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.09 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 2.77 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 73.34 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -121.59 159.34 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 75.45 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.54 111.14 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 75.44 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.38 110.41 21.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 63.3 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt 59.49 20.62 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.23 -9.68 54.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 62.41 112.493 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.7 123.89 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 62.02 110.896 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -60.83 129.16 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.75 172.06 43.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 75.42 112.477 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -156.23 136.66 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 75.24 110.943 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.18 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 73.12 111.047 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -172.59 164.4 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.115 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.71 -15.45 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 12.05 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.55 111.094 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -112.08 -20.84 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.866 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.0 132.91 42.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 72.12 111.093 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -42.69 3.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.719 2.279 . . . . 70.43 112.357 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.03 151.76 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 71.5 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -101.74 133.07 47.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.884 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.09 144.13 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.137 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -95.14 -33.92 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.797 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.2 ttp -139.8 111.64 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.6 123.62 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.102 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -111.23 121.11 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.879 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -107.49 116.55 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.15 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -120.07 -9.09 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.887 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -51.32 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -156.08 179.52 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 73.03 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.3 p -73.88 -56.09 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.867 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.3 -28.37 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 53.12 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.69 -26.58 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.03 111.093 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -42.01 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 71.12 111.073 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -66.24 -53.75 33.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.72 -39.92 77.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.1 112.472 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.33 -35.92 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.22 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.3 48.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.12 111.143 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.28 -42.09 90.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.881 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.42 -46.56 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.51 110.947 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.35 -50.05 71.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 64.31 111.123 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.39 -32.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.159 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.9 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 54.24 111.103 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.0 pt -74.15 -30.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 65.42 111.108 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.04 60.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 178.17 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 61.21 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.29 -34.48 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.05 157.88 43.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 73.41 111.169 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.6 tp -138.76 132.47 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 73.51 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -129.96 142.88 50.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.934 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.4 -173.86 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.36 169.55 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.881 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.89 133.05 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.931 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.83 -12.24 68.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.488 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.19 141.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 73.14 111.147 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.7 mt -135.48 105.4 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.121 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.07 90.26 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.72 -36.09 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.916 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -40.9 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.76 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.047 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 70.14 111.113 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.12 -45.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.145 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.27 -35.11 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 71.04 110.884 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.08 -30.65 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 75.14 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.98 -33.05 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.835 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.79 -35.15 76.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.885 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.3 -24.05 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.02 111.141 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.13 -10.87 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 71.55 112.52 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 160.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 73.01 110.951 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -104.52 94.88 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.22 110.823 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.44 134.14 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.095 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.3 t -137.56 108.11 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.088 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -107.29 -178.58 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.896 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.65 34.7 16.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 72.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -148.02 137.54 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.3 t -125.57 129.06 24.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 63.53 110.842 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -15.08 36.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.278 . . . . 73.52 112.366 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.106 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 53.43 111.096 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 75.55 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.92 -37.12 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.091 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.64 -34.3 44.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 75.51 112.507 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.73 -29.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.911 0.386 . . . . 73.53 111.177 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -27.15 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 64.11 110.944 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -88.0 -21.43 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.108 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -84.15 -67.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.862 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.37 141.06 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 73.35 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -114.84 103.7 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.43 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.8 125.52 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.108 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.51 134.96 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.104 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 71.34 111.144 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 120.72 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.8 t -90.12 114.22 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 72.3 111.14 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 65.92 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 62.31 112.453 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.99 107.2 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 72.12 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.38 -168.82 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.82 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -92.43 43.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.15 110.818 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -109.65 84.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 75.13 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.42 18.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 71.41 112.296 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.49 25.5 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 72.25 110.851 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -129.6 160.15 66.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 75.34 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.39 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 63.25 112.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -77.49 -27.96 52.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 54.24 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.71 -44.93 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.89 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.19 -31.82 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.08 -41.23 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.114 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -54.81 -60.14 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.862 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.08 -22.45 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.06 -48.44 62.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.75 -35.1 72.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.8 -38.92 90.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.52 110.891 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.55 -46.47 38.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.891 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -56.92 -25.3 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.85 53.4 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 64.13 112.512 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -133.26 176.25 8.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.383 . . . . 73.42 110.928 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.39 114.19 28.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.32 124.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.166 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mt -113.99 77.61 3.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.612 0.72 . . . . 72.42 111.122 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.74 58.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 75.33 112.363 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.42 122.36 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.153 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.4 151.77 40.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 74.42 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.735 2.29 . . . . 75.12 112.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -106.77 -26.6 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.94 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.1 m -88.91 10.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.081 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.3 82.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.2 111.107 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.73 1.2 6.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 74.13 112.488 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 156.29 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 70.41 110.916 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.93 108.95 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 72.3 111.107 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 113.93 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.927 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt 57.04 25.43 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.944 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.13 65.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.497 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -94.72 121.37 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 74.24 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -61.87 131.15 48.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.51 42.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.508 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -155.69 136.84 13.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 73.31 110.895 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.64 77.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.081 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.8 t -154.3 166.07 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.125 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.2 -15.26 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.883 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.87 11.74 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.103 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -117.93 -13.62 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.15 104.72 27.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 74.41 111.114 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.07 24.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.733 2.289 . . . . 75.22 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.71 126.6 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.74 117.35 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.02 145.41 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 73.11 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.03 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.899 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.4 tpp -141.94 127.32 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.2 t -106.53 97.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.23 133.41 42.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.852 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.58 109.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -124.97 -1.92 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.838 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -51.77 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -157.0 177.61 11.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.5 m -74.95 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.13 -28.54 70.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.52 -25.01 50.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.069 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.1 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.058 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -68.12 -52.47 34.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -36.35 76.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 73.21 112.455 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.68 -32.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 74.24 111.158 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.15 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.061 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.33 -43.29 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.7 -45.76 81.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.848 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.16 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 65.43 111.123 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.61 -30.55 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.101 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.16 -49.89 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.45 111.025 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.1 pt -71.27 -30.24 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 75.32 111.128 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.12 55.82 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.448 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.81 177.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.51 111.088 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -121.6 -34.62 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -153.23 158.39 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.162 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.9 tp -135.38 129.39 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -129.5 129.63 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.917 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.13 -169.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.34 110.893 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.73 149.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tp -77.27 137.05 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.945 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.2 -22.24 40.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 71.23 112.509 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.89 149.92 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 75.12 111.125 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.0 mt -141.38 112.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.34 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.34 95.52 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.18 -48.34 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.858 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -47.45 85.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.952 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.82 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 60.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -46.7 39.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.069 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.0 t -59.76 -39.98 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.155 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.04 -58.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.9 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.23 -27.97 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 61.42 111.066 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -66.79 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.44 110.926 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.46 -35.82 80.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.927 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.52 -24.12 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.116 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.78 -8.6 54.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 75.31 112.486 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.1 149.46 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 72.3 110.907 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 m -81.82 97.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.98 123.46 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.3 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.1 t -121.93 105.69 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.24 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 33.1 mtm -104.25 178.46 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.901 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 41.65 40.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -150.27 133.39 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.894 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.8 t -136.57 129.45 17.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 73.33 110.906 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 2.259 . . . . 74.23 112.369 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.33 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.105 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.094 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.856 0.36 . . . . 71.02 111.153 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -38.9 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.102 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 -32.96 47.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.471 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.25 -30.86 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 73.54 111.175 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.28 -27.79 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -86.61 -21.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.149 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.889 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 144.65 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 64.42 111.171 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -117.11 103.79 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.9 m -139.6 143.64 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 64.22 111.148 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.28 135.09 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.45 132.05 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 70.21 111.153 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.55 135.56 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.899 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.53 133.32 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.11 51.01 5.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 64.2 112.477 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 139.42 30.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 63.23 111.119 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -157.4 -169.31 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 65.33 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.12 41.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 65.45 110.837 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -110.24 82.96 2.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 74.04 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.93 17.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 72.05 112.349 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -98.65 26.41 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.851 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -131.6 160.07 69.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 65.33 110.874 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -16.38 37.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.722 2.281 . . . . 71.31 112.359 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.21 -27.68 53.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.816 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.58 -44.67 11.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -30.39 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.42 110.857 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.1 -35.87 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.5 tpt -61.44 -60.23 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -24.87 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.46 31.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.919 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.06 -36.99 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.3 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.06 -28.94 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.926 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.77 -55.97 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.861 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -57.69 -25.24 60.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 45.14 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.68 43.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -107.19 172.88 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 74.11 110.928 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -101.93 110.29 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.1 147.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.21 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -135.57 80.45 44.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.631 0.729 . . . . 75.33 111.146 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.14 39.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 64.45 112.375 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -133.52 121.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.41 111.159 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.72 151.95 43.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 71.14 110.819 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.76 26.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 72.11 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -107.0 -31.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 70.24 110.919 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 m -81.48 0.48 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 61.12 111.116 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.65 90.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.21 111.067 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.48 1.61 10.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 63.24 112.492 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -116.54 177.75 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 73.31 110.897 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.26 103.61 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.157 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -88.86 112.84 23.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.899 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mp 56.46 29.44 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.13 -3.89 77.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 44.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -94.68 126.34 39.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 70.12 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -67.38 119.24 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.23 171.08 43.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 54.42 112.468 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -155.95 135.7 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 75.13 110.91 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 75.43 111.11 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -150.38 147.23 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.142 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -15.2 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.973 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.78 12.68 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.106 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -112.8 -20.62 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.89 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.66 132.95 59.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 62.3 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.56 3.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 74.25 112.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.08 130.94 45.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -91.22 117.54 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.935 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.0 p -74.26 144.57 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 72.1 111.133 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.69 -24.14 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.842 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.6 ttp -139.14 113.52 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.868 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -97.23 114.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.7 129.2 45.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.881 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -116.15 116.4 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.24 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.32 -6.3 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.87 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -51.1 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.91 -179.76 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -74.2 -55.2 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.838 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.41 -27.37 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.919 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 75.22 111.123 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.27 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.099 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -65.36 -54.28 31.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.57 55.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 64.35 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.51 -38.18 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 73.03 111.153 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -58.71 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.102 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -53.19 -43.13 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.51 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.42 -43.18 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.79 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.4 111.073 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.4 mt -70.78 -25.24 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.24 111.146 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.6 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 54.11 111.13 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.2 pt -76.99 -30.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.153 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.04 78.72 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 63.23 112.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.16 -173.12 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 75.31 111.136 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.96 -38.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.874 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.38 158.29 43.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.148 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 tp -136.51 119.22 16.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -118.07 137.79 52.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 65.05 110.945 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.8 mt -110.59 -173.1 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.867 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -89.41 125.93 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -51.75 114.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.879 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.07 5.89 16.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 63.11 112.507 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.37 153.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 75.45 111.121 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.3 mm -137.26 118.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.33 111.15 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.13 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.44 110.878 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.84 -47.27 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -53.45 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 74.01 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.91 -30.22 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.86 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 52.42 111.117 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 t -53.68 -43.49 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.133 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -58.73 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.93 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.65 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.54 111.098 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.28 -30.52 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.99 -46.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.11 -24.57 59.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.069 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.8 27.07 7.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 52.22 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.23 155.33 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.351 . . . . 73.23 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -87.62 100.01 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.921 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -91.52 143.24 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.33 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.64 105.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.13 111.137 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -110.23 -178.37 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.04 110.882 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 t0 51.18 32.67 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -152.41 141.29 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.6 143.98 49.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 74.43 110.857 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.13 30.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 75.52 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.07 95.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.154 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.159 179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 pt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.787 0.327 . . . . 74.53 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.9 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.086 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.71 -34.42 43.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 54.32 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.65 -30.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 70.34 111.141 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -27.18 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -88.11 -21.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.116 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 t -84.74 -66.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 64.13 110.835 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -127.56 144.57 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.138 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -116.47 103.97 10.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.1 m -139.52 135.39 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.04 129.14 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.64 139.69 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 65.11 111.107 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.97 135.42 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 73.4 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.58 127.7 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 64.23 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.08 60.91 3.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 43.44 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 117.36 28.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 75.23 111.097 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 p -126.77 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 61.01 110.894 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.96 43.34 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -109.71 83.59 2.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.698 . . . . 74.03 110.894 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.21 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 72.43 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -97.6 25.68 5.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 55.33 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -130.49 160.17 67.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 75.42 110.909 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -15.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 71.21 112.341 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -27.68 53.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.872 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -87.63 -45.41 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.912 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -53.25 -32.64 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.883 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -77.23 -36.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.41 111.104 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.57 -59.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.868 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -66.63 -23.99 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.61 -51.46 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.935 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.02 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.72 -46.71 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.12 -41.99 80.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.861 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -56.86 -25.42 56.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.941 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 50.93 1.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.91 -176.18 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 74.33 110.927 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -106.87 112.7 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.857 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.73 130.62 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 75.2 111.09 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.6 mt -127.14 76.51 76.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 72.41 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 139.62 40.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 74.22 112.319 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -132.02 122.18 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.74 151.5 42.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 71.53 110.838 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.85 24.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.34 112.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -106.28 -33.83 7.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -76.67 -10.43 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.35 104.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.082 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.4 25.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 71.52 112.511 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -136.41 169.83 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 65.31 110.952 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.71 114.71 25.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.25 111.154 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.4 112.0 24.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 75.11 110.925 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp 58.48 22.73 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.892 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.55 -5.57 70.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 73.21 112.514 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -94.71 128.68 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 71.23 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -58.3 141.13 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.53 110.893 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.46 153.44 21.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.49 133.95 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 75.03 110.927 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.46 -33.22 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 64.52 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.6 p -149.21 146.09 27.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.165 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -32.05 68.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.914 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.8 -4.66 38.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 72.03 111.085 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.34 -5.82 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.16 132.39 37.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.721 . . . . 75.41 111.106 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.65 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 71.22 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -77.68 155.34 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -103.09 128.62 49.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.939 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.37 137.46 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.23 111.141 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -93.1 -31.07 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -137.3 112.17 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 60.11 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -87.63 129.86 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.4 111.158 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.52 112.43 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -109.25 105.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.091 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -125.87 -0.81 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -52.0 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -153.48 177.39 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.845 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 p -71.12 -54.87 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.94 -26.73 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.72 50.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 71.45 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.83 56.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.23 111.111 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -69.92 -53.49 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.07 82.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 71.21 112.461 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.86 -28.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 62.33 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.5 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -57.4 -42.57 82.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.883 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.98 -47.01 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 52.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.7 93.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.093 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.4 mt -69.41 -30.38 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 73.43 111.165 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.98 78.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.101 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 pt -77.45 -24.68 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.63 63.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 62.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 179.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 72.32 111.121 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -128.64 -39.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.925 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.61 157.8 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 53.1 111.164 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.1 tp -138.88 126.12 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -125.14 135.11 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.33 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.0 mt -108.95 -174.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.914 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -81.24 149.89 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 120.39 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.41 28.05 7.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.517 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.28 149.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 65.03 111.16 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.79 101.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -120.6 88.66 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.53 -47.96 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.27 -46.62 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.912 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.02 69.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.06 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.57 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.07 -40.89 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.168 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.4 tp -53.18 -47.86 68.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.68 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.135 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -71.62 -30.15 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.855 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.23 -35.0 77.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.868 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.7 -24.14 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.32 111.105 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.33 -13.14 30.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 72.25 112.492 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tp -51.74 149.51 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 73.02 110.882 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 99.89 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.65 133.08 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.41 111.117 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -133.93 110.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.11 111.095 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -111.27 177.35 4.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.51 110.876 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.3 t0 57.16 29.92 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -151.96 154.18 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.0 t -155.65 129.03 4.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 71.43 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 72.24 112.352 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.5 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.085 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 72.35 111.126 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.825 0.345 . . . . 75.45 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.109 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.35 -35.16 43.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 65.01 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.39 -30.11 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.42 111.134 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -25.98 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 63.31 110.955 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -89.51 -19.76 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.157 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 t -86.35 -67.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 m -128.56 139.8 52.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 73.11 111.184 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.848 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 m -141.16 122.45 14.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.145 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.5 137.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.119 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.25 124.87 37.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 73.54 111.119 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.77 135.43 37.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 73.24 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.4 t -95.76 130.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 73.52 111.143 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 58.71 10.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 71.53 112.46 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.58 105.61 17.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 73.45 111.095 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t -112.53 -169.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.858 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.45 46.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 72.03 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -109.74 83.87 2.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 75.55 110.88 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.24 18.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.69 2.26 . . . . 74.52 112.336 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.91 22.69 8.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 72.2 110.877 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -130.3 160.42 65.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 74.33 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.99 35.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 50.52 112.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.03 -25.65 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 61.33 110.851 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -88.76 -46.11 9.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 75.34 110.958 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -53.71 -35.27 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.909 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.11 -28.7 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 65.54 111.105 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.4 ttp -66.0 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -61.0 -24.03 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -50.51 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.936 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.75 -29.51 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 74.03 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.32 -46.75 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.72 -41.51 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 51.44 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -56.57 -24.81 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 70.53 110.936 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.63 3.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.475 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -116.12 154.64 29.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 75.03 110.902 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.53 117.09 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.867 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.6 t -110.07 132.49 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 72.53 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.21 79.74 72.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.73 . . . . 74.1 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.78 3.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 75.22 112.41 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.71 122.09 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 70.34 111.14 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.85 151.96 43.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.736 0.779 . . . . 71.42 110.833 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 61.43 112.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.41 -27.87 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 m -86.91 8.35 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.104 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.72 83.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.135 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 5.3 6.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 72.53 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -123.19 177.48 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 104.31 8.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.086 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.34 118.11 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mp 58.77 22.22 9.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.912 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.09 69.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.439 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -94.91 129.18 42.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 74.41 110.936 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -62.03 130.16 44.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.925 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.56 167.6 35.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 75.33 112.525 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -152.93 137.65 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 72.54 110.902 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.18 -25.91 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.09 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 t -170.19 156.77 6.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.166 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.47 -15.47 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.86 14.2 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.02 111.126 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.72 -21.19 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.853 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.66 132.98 31.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 75.1 111.128 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -42.31 3.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 75.42 112.381 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.89 146.13 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 63.54 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -100.42 126.06 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.13 140.64 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 73.14 111.177 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.8 -26.85 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.896 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.8 tpt -134.79 132.21 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.855 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.8 111.85 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.118 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -93.38 124.35 37.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.869 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.3 t -117.71 102.66 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 74.52 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -120.09 -1.27 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -156.07 177.97 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.2 t -75.08 -54.51 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.12 -28.01 69.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.42 -24.95 64.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.22 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.26 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 63.42 111.11 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -72.15 -54.59 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.67 -36.65 86.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 61.34 112.532 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.8 t -75.27 -34.87 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 54.52 111.12 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.23 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.11 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.94 -45.28 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.73 -44.68 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.59 85.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.53 111.058 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.6 mt -69.65 -37.99 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.12 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.26 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.34 111.117 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.7 -29.32 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 75.04 111.077 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.42 57.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 65.42 112.497 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.22 -170.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.41 111.093 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -123.11 -35.25 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 m -150.84 158.27 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.11 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.9 tp -140.97 134.13 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.911 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.6 -173.7 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.901 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -79.17 157.89 27.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.895 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.26 133.21 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.955 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.53 -14.9 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.465 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.61 148.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 64.42 111.134 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.34 107.61 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.131 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.93 91.0 3.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.62 -37.68 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -52.75 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.32 110.927 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.1 46.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.43 111.126 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.44 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.066 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.27 -43.63 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.63 -52.31 48.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.917 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.51 -29.14 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.095 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -33.61 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.923 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.854 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.23 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 71.41 111.075 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.2 12.13 49.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 62.52 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.38 159.66 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 74.11 110.86 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.1 t -92.26 96.86 10.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.824 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -97.0 122.6 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.13 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.58 105.78 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.24 111.111 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.6 -177.93 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.921 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 51.91 36.25 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 64.44 110.878 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -146.81 138.46 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.905 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.24 117.98 36.17 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.32 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -17.54 37.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 63.43 112.35 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.02 111.205 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.857 0.36 . . . . 73.4 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.0 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 74.14 111.078 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.95 -32.42 49.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 74.2 112.498 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -75.91 -35.07 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 74.41 111.165 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -30.05 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.02 110.921 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -83.42 -24.49 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.52 111.142 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.0 t -82.1 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.824 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -128.26 141.92 51.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 74.03 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.63 104.33 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.4 m -139.17 128.86 24.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.159 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.95 131.8 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 64.53 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.31 141.52 51.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.32 111.138 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.55 134.6 54.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.899 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 t -103.58 132.28 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.5 111.127 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 49.36 45.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.486 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.13 143.37 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 41.14 111.074 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -176.63 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 52.44 110.884 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -92.15 43.23 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -107.67 91.71 7.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.531 0.681 . . . . 75.23 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.42 21.01 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 65.31 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -100.25 23.57 9.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.847 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -120.72 156.9 55.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 75.44 110.891 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.2 Cg_endo -69.7 -23.94 30.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.13 112.395 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -77.21 -19.41 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -85.97 -48.95 8.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 72.53 110.922 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 1.6 ptp85 -53.2 -36.89 61.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.6 -33.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 54.21 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -64.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.39 64.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.51 110.845 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.7 -45.74 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -72.62 -31.33 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 71.41 110.94 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.06 -46.65 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.943 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.4 -33.91 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.874 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.1 -25.34 66.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 47.85 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.489 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -121.25 -176.7 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 74.21 110.948 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -108.35 110.39 21.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.858 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.37 131.83 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 72.23 111.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -128.47 77.84 76.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 74.34 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.85 31.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 74.24 112.361 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.87 122.02 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 151.71 42.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 73.4 110.858 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 75.54 112.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -106.39 -32.79 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.12 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.73 -4.0 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.086 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.67 17.45 10.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 70.04 112.462 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -136.87 163.72 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 75.1 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.57 108.94 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.127 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 135.52 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt 59.23 20.39 8.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.863 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.22 3.75 84.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.14 112.439 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -104.56 135.55 45.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 73.22 110.918 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -73.82 140.86 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.3 153.33 20.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 75.53 112.461 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -139.86 138.16 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 73.31 110.971 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.75 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 61.15 111.081 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.4 p -147.95 150.63 34.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.1 111.162 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.55 -15.11 63.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.919 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.58 11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.114 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -22.71 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.49 133.24 67.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 70.11 111.157 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.11 3.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 73.13 112.367 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -68.09 118.78 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 137.58 47.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.5 t -88.45 144.94 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.168 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -112.17 -24.74 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.85 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -141.81 111.92 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 71.13 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.99 121.7 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.101 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.06 130.38 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 64.22 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 t -109.36 117.0 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.36 -20.46 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.846 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -51.53 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.857 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -168.06 177.18 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p -74.9 -46.63 34.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 70.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.5 -31.71 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 74.41 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.92 65.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.52 111.09 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.85 -38.88 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -66.78 -54.44 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.913 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.34 -40.24 93.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.733 . . . . 72.14 112.433 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.62 -37.47 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 72.15 111.121 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.73 -55.85 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.156 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.16 -42.47 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.891 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -45.88 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.14 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 61.45 111.127 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.21 -26.09 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 63.13 111.113 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.41 -48.53 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.54 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.48 -25.54 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.54 111.161 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.78 51.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.21 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.76 -178.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 74.14 111.085 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -135.59 -41.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.898 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.92 158.18 44.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 tp -140.37 129.71 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -127.69 129.33 46.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.972 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 mt -105.53 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.04 110.917 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.3 149.6 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.859 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.78 141.86 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.93 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.3 26.25 70.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.12 112.496 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -122.38 130.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 73.12 111.143 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -136.48 107.52 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -117.08 89.68 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.882 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -53.23 -28.71 28.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -49.48 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 75.32 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.58 -25.4 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 55.25 111.108 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.53 -52.07 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.087 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.53 -33.07 55.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.15 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.62 -28.18 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.889 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.39 -39.9 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 53.43 111.14 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -53.96 -39.17 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -53.58 -29.26 36.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.03 -24.12 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.081 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.98 -8.4 36.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 34.53 112.474 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.8 151.08 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 74.25 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -90.22 100.05 12.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.3 p -91.72 132.1 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.25 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.7 t -139.0 108.46 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.12 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.53 172.88 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 62.22 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -147.91 137.46 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.827 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.07 136.16 28.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 54.34 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -22.64 32.15 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 75.34 112.366 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.57 88.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.108 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.112 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 pt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.883 0.373 . . . . 74.14 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.25 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.14 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.36 -34.69 44.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 55.01 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.85 -30.05 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 74.13 111.132 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -26.21 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.918 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.3 t -89.28 -20.9 23.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 75.5 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -84.48 -67.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.873 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -128.47 144.69 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.183 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -114.05 103.58 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.7 m -139.88 143.54 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 74.52 111.15 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.49 132.86 67.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.135 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.66 136.72 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.14 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tp -117.64 134.48 54.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 75.45 110.906 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 t -107.64 120.63 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.123 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.72 66.18 1.47 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.499 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.21 88.06 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 75.42 111.074 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 m -98.53 -169.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.876 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -92.72 43.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 74.24 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -109.78 83.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 73.33 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.26 18.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 72.22 112.377 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -97.91 24.81 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.836 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -128.88 160.1 65.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 72.03 110.872 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.52 37.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 75.24 112.337 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -26.74 55.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.895 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.62 -47.96 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.3 110.953 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -53.66 -33.76 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -77.24 -32.22 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.34 111.134 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.0 ttp -62.71 -62.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -25.94 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.861 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.85 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.943 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.17 -41.22 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 75.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.63 -46.75 84.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.948 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.23 -55.08 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.895 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -25.15 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.907 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 69.04 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 75.51 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.92 165.02 28.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 75.14 110.927 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -91.54 115.47 28.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.893 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.31 138.04 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.151 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.8 mt -130.75 75.75 78.3 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 73.31 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 137.9 36.81 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 73.31 112.394 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -133.43 122.4 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 71.21 111.151 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 152.31 45.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 73.34 110.85 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.6 24.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 75.01 112.359 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -33.29 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -79.94 -5.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 73.31 111.168 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 100.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.127 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.9 19.66 16.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 65.31 112.475 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -130.73 177.72 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 73.41 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.6 123.68 40.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.19 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.49 108.83 17.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.52 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp 59.0 21.84 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.934 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.33 1.35 56.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 63.53 112.525 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -97.08 135.66 38.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 75.14 110.888 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -73.28 119.08 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.37 163.35 52.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.54 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -154.71 136.53 14.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 74.52 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.17 -26.17 66.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 72.21 111.137 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 t -162.44 153.39 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.179 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -15.41 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 12.4 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 63.52 111.097 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -113.64 -19.92 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.881 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.55 133.24 44.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.13 111.173 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.07 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.236 . . . . 72.55 112.387 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -65.07 143.8 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -101.71 127.14 48.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.17 144.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.146 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -30.2 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttp -139.72 118.76 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -100.4 123.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 62.24 111.104 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -106.0 141.06 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.867 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.3 t -122.06 116.61 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.69 -9.81 9.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.858 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -51.66 -64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.852 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -176.17 176.84 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 p -66.92 -55.76 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.855 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -57.05 -27.8 62.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.854 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.56 72.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.081 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.4 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.4 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -68.49 -53.45 23.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.5 110.93 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.97 -33.01 84.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 64.32 112.515 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.36 -36.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 71.24 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.17 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.54 111.107 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.89 -43.36 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.878 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.76 -47.34 83.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.19 -50.23 74.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.11 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.71 -28.02 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.34 111.083 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.78 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.066 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.8 pt -72.47 -25.54 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.157 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.89 52.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 71.11 112.447 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -176.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 72.23 111.089 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -134.51 -41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.867 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 158.23 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.24 111.144 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.3 tp -139.91 134.08 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.943 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -130.92 138.09 49.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.924 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.6 mt -115.48 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.887 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -83.93 145.17 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.61 132.53 45.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.934 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.39 -20.21 50.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 65.23 112.465 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.13 146.55 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.43 111.118 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.1 mt -131.86 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 73.02 111.143 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.59 95.66 4.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.05 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -67.91 -49.04 64.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.33 -25.32 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.51 -52.14 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 65.53 111.111 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.41 -32.88 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.115 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.66 -27.81 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.923 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.09 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.04 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.78 80.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.85 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.74 -26.66 46.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.12 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.7 -11.72 32.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.523 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.62 150.42 3.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 75.34 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -88.21 99.88 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.866 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.7 133.53 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.108 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.6 t -139.11 105.87 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.125 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.48 -178.21 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.899 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.2 t0 52.07 35.37 16.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.874 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.63 135.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.922 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.7 t -132.93 129.01 20.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 72.53 110.884 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -14.56 36.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.286 . . . . 64.44 112.331 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.93 91.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.42 111.11 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.52 111.157 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.1 pt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.85 0.357 . . . . 75.34 111.128 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.87 -35.47 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 63.25 111.116 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.46 -31.53 54.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.497 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.82 -30.29 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.25 111.157 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.26 -28.06 25.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.933 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -86.42 -22.32 26.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.139 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -88.7 -68.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -128.34 113.76 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.111 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -92.33 104.27 16.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -139.25 143.42 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.139 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.73 138.4 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.171 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.66 119.5 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.2 111.108 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 130.4 36.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.73 126.7 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.97 30.4 38.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.756 . . . . 70.53 112.488 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 108.27 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 71.05 111.064 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -118.34 -169.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.847 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.18 43.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.877 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -109.85 83.5 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 74.01 110.885 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 71.41 112.361 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -100.04 24.06 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.843 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 160.08 61.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 73.52 110.882 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.15 37.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 75.53 112.345 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.23 -26.27 52.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.1 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.48 -46.15 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.958 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -53.35 -32.57 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.875 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.0 -39.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.08 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.0 ttm -55.33 -60.75 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.921 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -64.37 -22.4 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 74.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.21 -47.21 58.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -70.49 -30.03 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.67 -46.8 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.893 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -32.42 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.904 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -63.77 -25.32 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.907 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 32.69 3.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.445 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -110.2 167.62 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.954 0.407 . . . . 73.12 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -99.6 88.88 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -74.71 145.26 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.127 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -136.32 78.56 44.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 73.34 111.132 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.9 31.68 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 75.41 112.316 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.94 122.26 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.124 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.37 152.0 45.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.25 110.858 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -8.68 24.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 71.03 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -105.43 -34.44 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.54 -9.79 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.146 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 100.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.129 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 17.95 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 72.45 112.502 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.91 177.31 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 75.34 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 108.24 14.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 64.25 111.113 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 tp -104.69 122.86 46.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 70.02 110.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.8 mt 58.26 24.22 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.17 -3.22 85.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.496 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -98.48 155.81 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 73.23 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -76.97 140.24 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.16 156.47 23.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.44 112.495 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -145.76 135.79 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.888 0.375 . . . . 74.15 110.945 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.93 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.082 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 t -169.52 152.77 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -21.47 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.875 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -17.19 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.41 111.094 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.65 -31.62 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.852 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.4 t -50.02 108.33 0.98 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 74.1 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -45.24 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 65.43 112.375 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -69.86 123.58 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -69.09 119.12 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.855 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.5 144.58 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.104 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.21 -24.95 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.886 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.5 ttp -147.65 126.68 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.882 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.17 118.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.6 119.75 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.844 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.82 114.1 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -131.76 7.4 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -56.08 -74.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.907 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -152.07 179.99 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.84 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 t -74.96 -54.34 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.863 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.36 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.25 111.037 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.4 64.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.11 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -65.97 -53.73 35.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 62.15 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.97 -38.96 66.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 44.33 112.485 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.37 -35.66 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 73.01 111.113 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.25 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.42 111.136 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -52.76 -43.31 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.44 -40.07 95.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.93 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.6 mt -74.8 -24.24 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.41 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.3 111.107 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.56 -31.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.45 51.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 74.43 112.445 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.97 -174.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 70.23 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -126.9 -38.26 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.916 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.26 158.34 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.43 126.11 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -124.27 130.42 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.24 110.915 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 36.7 mt -109.42 -170.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.926 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -81.41 148.24 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 tp -74.62 131.98 41.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.54 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.71 -18.02 41.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.481 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.45 136.04 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.14 111.137 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -127.09 111.18 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.13 111.126 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -112.65 87.55 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.846 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.72 -43.73 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.42 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.084 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 -52.15 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 52.53 111.105 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.62 -33.03 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.143 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.2 -27.65 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.919 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.43 -42.27 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.53 111.089 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -54.98 -33.59 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -56.24 -25.72 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.88 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.36 -24.09 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.096 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.34 -13.78 25.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 63.3 112.504 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.87 149.78 4.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 64.11 110.889 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -90.61 98.76 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.8 p -91.7 123.69 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 73.43 111.137 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.62 105.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.42 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.72 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t0 52.1 36.81 19.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.873 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -150.36 134.26 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.9 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 14.0 t -129.4 129.29 23.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 75.13 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.87 37.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 63.14 112.357 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.43 96.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.072 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.51 111.115 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 72.04 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.27 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 70.02 111.106 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.79 -33.76 45.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.1 112.49 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.32 -30.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.35 111.137 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 -27.46 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 65.44 110.934 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -87.03 -20.95 26.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.142 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.1 t -85.72 -66.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.828 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -128.31 137.63 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.145 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.3 103.53 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 72.52 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.1 m -139.69 126.98 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.4 111.14 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.46 139.72 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.42 111.153 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.52 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 51.04 111.066 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.39 135.19 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.6 t -110.43 133.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.112 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.78 45.72 26.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 64.43 112.486 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 108.08 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 52.14 111.094 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m -120.3 -171.26 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.875 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -99.23 46.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 75.1 110.852 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CD ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -111.78 78.16 2.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 75.22 110.867 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 1.49 4.36 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 73.02 112.365 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.08 11.36 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.839 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.24 162.0 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 72.2 110.912 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.92 29.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.53 112.383 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -27.32 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.855 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -87.76 -45.98 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.958 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -53.31 -34.11 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 73.33 110.828 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.42 -37.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.129 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -62.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.883 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -23.15 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.46 -49.9 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.51 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 75.35 110.931 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -65.21 -43.5 91.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 70.43 110.916 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.01 -46.16 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -56.82 -25.43 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.933 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 26.64 5.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 74.13 112.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -98.96 -176.25 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 74.11 110.909 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.46 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.849 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.51 124.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.154 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.97 78.0 12.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 62.22 111.088 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 124.12 10.77 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 70.2 112.362 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.8 t -123.16 122.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.25 111.128 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.39 151.94 44.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 75.02 110.858 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -9.8 26.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 74.12 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -106.41 -32.75 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.87 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.55 -8.24 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.138 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 62.44 111.127 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.62 18.81 14.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 71.41 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -135.03 177.65 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 74.24 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.79 110.96 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.15 111.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 113.02 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt 58.77 21.93 9.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.931 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.08 -4.08 62.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 71.52 112.537 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -94.66 143.42 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 74.24 110.941 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.52 128.79 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.01 153.19 30.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -145.14 136.31 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 75.42 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.51 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.058 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -149.09 154.31 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 61.41 111.154 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.02 -15.32 63.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.951 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.78 7.5 30.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.094 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.27 -20.39 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.852 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.16 133.09 94.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 73.13 111.136 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.67 3.21 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.262 . . . . 73.22 112.38 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.31 148.83 24.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.89 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -91.91 128.82 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.13 144.34 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.11 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.19 -27.89 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 40.5 ttm -150.99 125.13 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.1 110.853 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -104.84 123.4 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 74.13 111.147 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.93 142.9 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.98 118.02 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.12 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -116.5 -18.11 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.924 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -51.21 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -169.74 -177.14 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 70.13 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -68.43 -52.27 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 55.01 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.47 -32.58 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.871 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.07 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 71.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.68 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.076 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -66.98 -54.19 24.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.917 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.47 -34.69 49.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.42 112.505 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.0 -33.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 74.41 111.118 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.66 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.05 -44.12 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.55 -40.61 87.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.21 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.15 111.097 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.8 mt -62.93 -26.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.1 -48.75 16.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.42 111.075 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.02 -31.06 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.51 111.152 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 62.51 112.485 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.61 -177.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 64.22 111.053 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -133.24 -40.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.06 158.52 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.2 111.125 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.1 117.32 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.917 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -114.15 132.62 56.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -106.72 -174.45 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 73.24 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.58 143.66 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.953 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.84 139.33 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.4 110.89 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.29 16.04 68.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 72.11 112.505 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.42 107.74 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 64.13 111.14 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -115.11 126.62 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.14 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -111.94 96.63 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.05 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -51.96 -37.1 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -50.26 19.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.72 -27.87 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.21 111.144 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -39.21 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.42 -46.65 94.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.077 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.64 -56.16 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.21 -32.19 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.056 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -66.34 -34.41 77.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.863 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -47.09 84.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.04 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.09 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.113 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.67 -2.17 42.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 70.54 112.466 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 tp -51.92 160.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 74.02 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.36 95.93 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.818 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.63 127.32 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.15 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.59 110.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 62.22 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.886 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 t70 51.78 38.57 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -152.64 140.61 20.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.897 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 149.95 74.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 54.11 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.1 22.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 74.1 112.314 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.84 70.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 mm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.1 111.118 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 pt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.866 0.365 . . . . 71.22 111.13 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.49 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 111.065 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.46 -34.98 43.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.474 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.67 -29.83 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 74.31 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -26.71 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.909 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -88.75 -21.38 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.173 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -84.05 -67.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.822 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.34 144.38 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.33 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 103.61 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.845 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -139.66 143.46 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 72.45 111.15 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -126.07 138.52 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.11 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tp -121.61 135.45 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.34 110.972 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.73 117.15 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.092 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.41 70.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 73.2 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 99.72 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 71.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m -113.86 -172.11 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.15 41.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.843 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -113.82 87.79 13.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 64.31 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.08 20.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 72.53 112.357 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.06 9.05 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 154.95 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 74.25 110.858 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.57 36.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 74.24 112.322 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -22.01 53.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 71.22 110.811 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -87.53 -48.97 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.898 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -32.2 49.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -77.07 -36.19 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.154 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.4 tpt -58.07 -58.58 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -67.54 -20.97 65.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 75.44 110.86 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.9 -49.13 21.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.97 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.05 -44.2 73.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.947 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.66 -45.41 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.3 110.856 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -56.49 -25.28 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.907 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.48 60.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 51.42 112.486 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -141.79 159.51 42.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.378 . . . . 74.54 110.942 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.0 121.42 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.845 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.9 t -118.19 147.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.32 111.13 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.66 79.23 59.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 71.05 111.141 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.29 40.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 61.43 112.34 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.42 122.26 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.04 111.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.37 152.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.749 . . . . 53.33 110.812 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -11.71 31.36 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.676 2.251 . . . . 74.45 112.392 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -106.32 -32.07 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.853 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.7 p -77.95 -5.26 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.072 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.56 96.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.116 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 9.41 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.473 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.68 154.3 43.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 64.2 110.862 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.13 110.79 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.13 111.177 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.25 112.37 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.911 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.6 mt 62.45 24.33 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.02 66.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 73.43 112.51 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -95.47 125.58 40.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 72.14 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -58.16 136.29 57.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.909 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.96 164.47 29.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 72.12 112.465 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -153.49 136.88 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 73.1 110.944 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.75 77.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.31 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -150.01 149.39 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.138 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -16.51 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.903 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.1 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 60.23 111.076 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.92 -37.62 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.895 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -50.64 108.63 1.07 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 73.33 111.135 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -41.99 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 73.21 112.31 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.46 108.94 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -63.57 122.05 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.79 144.35 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.136 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.77 -25.36 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttm -141.45 113.88 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.66 109.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.05 133.44 33.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.848 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.7 113.01 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.03 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -119.88 -9.22 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -51.61 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.33 110.827 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -165.49 173.98 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.89 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -63.08 -60.08 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.865 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.14 -28.23 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.88 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.11 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.78 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.057 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.59 -54.44 32.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 75.3 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.31 -43.79 97.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.455 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.6 -23.85 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 72.32 111.13 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.27 -57.98 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.1 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -51.84 -39.53 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.92 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.5 -44.35 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.842 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.096 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.66 -29.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.1 -49.09 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.053 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -70.68 -24.95 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.103 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.11 54.53 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 74.33 112.493 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.41 -173.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 70.1 111.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -135.42 -41.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 158.35 43.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.7 tp -144.83 102.44 3.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -94.96 143.04 26.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.914 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.3 mt -119.63 -171.69 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.68 152.64 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.909 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tp -77.3 138.57 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.97 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.06 -15.42 62.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 64.02 112.468 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.59 151.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 74.24 111.156 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.27 134.79 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.162 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -129.05 87.42 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 70.11 110.924 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.55 -47.42 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.43 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 -48.01 73.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.908 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.95 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.04 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.28 -38.26 65.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.24 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.13 -50.03 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 73.31 111.097 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 tp -51.27 -32.03 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.54 110.948 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.82 -50.09 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 53.44 111.146 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -53.04 -42.55 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -62.52 -25.21 67.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.54 -24.3 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.3 111.101 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.97 -15.72 10.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 62.33 112.487 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 157.99 7.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 73.33 110.899 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.5 t -113.11 94.8 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.0 t -94.05 143.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.15 111.139 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.8 t -136.23 120.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.19 170.9 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.34 110.907 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.2 t70 63.67 33.56 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -156.14 135.08 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.897 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.91 129.13 15.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 74.11 110.873 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.53 36.2 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 72.24 112.341 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.75 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.095 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.45 111.151 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.809 0.338 . . . . 73.11 111.144 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.98 -38.92 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.087 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.97 -32.93 47.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 70.22 112.452 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.24 -31.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.31 111.146 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -28.41 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.4 110.924 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -85.57 -21.99 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.24 111.131 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 t -84.36 -66.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 52.4 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -128.43 144.7 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -114.56 103.45 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.914 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.96 143.65 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 70.31 111.129 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 133.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.21 111.085 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.94 123.55 41.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.42 111.098 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tp -96.01 126.76 41.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.87 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.83 114.98 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 72.35 111.127 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.54 62.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 62.42 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.22 122.98 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 74.24 111.07 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -134.38 -176.86 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.884 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.19 44.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.819 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.96 83.46 2.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.529 0.68 . . . . 75.13 110.833 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 64.12 112.289 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.21 26.43 6.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -130.94 159.27 72.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 73.25 110.87 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.24 37.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 72.03 112.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -28.41 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 65.4 110.85 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -87.61 -44.02 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 73.04 110.899 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -31.72 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -77.25 -40.54 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 70.22 111.163 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.86 -61.28 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.98 -21.46 66.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.69 -46.74 44.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.877 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.43 -43.72 93.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.02 110.9 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.73 -46.78 88.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.956 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.17 -54.38 36.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.872 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -56.66 -25.18 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 64.3 110.932 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 44.14 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.476 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -113.2 164.84 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 74.21 110.893 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.49 115.24 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.839 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -109.8 144.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.15 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.72 81.44 69.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 73.01 111.128 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.87 13.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 73.35 112.322 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.07 121.81 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.169 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.73 151.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 73.12 110.875 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.92 33.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 71.33 112.39 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -106.58 -31.41 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.88 -8.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.107 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.85 102.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.15 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.31 17.97 18.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 43.24 112.542 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -126.24 172.29 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 73.14 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.9 113.93 15.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 71.55 111.138 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.57 117.78 31.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.8 mt 61.97 25.29 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.28 -0.91 84.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 62.04 112.461 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -96.32 138.88 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.55 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.88 143.12 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 74.34 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.96 164.26 28.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -152.54 131.86 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 71.34 110.923 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.04 -29.97 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 71.21 111.104 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.1 p -148.57 148.68 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 73.3 111.183 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.892 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 -2.7 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.115 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -6.75 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.03 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.44 131.87 42.72 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 71.4 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -43.16 2.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 72.24 112.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.28 147.69 40.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -98.25 122.1 41.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.12 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.34 111.138 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.38 -23.86 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.869 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ttp -146.39 119.74 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.862 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.57 138.22 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.22 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.821 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.87 101.43 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.105 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -114.97 -5.13 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -51.86 -68.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -163.82 167.95 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.5 p -62.4 -58.19 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.59 -25.33 68.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.864 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.66 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 75.04 111.082 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.86 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.24 111.113 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -66.66 -54.48 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.51 -34.24 74.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.734 . . . . 65.14 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.09 -21.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 75.11 111.122 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.08 -44.67 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.91 -43.44 98.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.47 -40.91 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.91 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.8 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.31 111.126 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.0 mt -69.78 -35.67 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.39 -47.06 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.082 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.3 pt -70.63 -24.69 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.162 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.84 59.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.483 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.39 -177.85 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 65.1 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -130.95 -41.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.916 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.94 158.18 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.1 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 tp -141.19 109.26 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -105.58 139.87 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.868 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.0 mt -116.35 -173.78 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.97 163.94 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.66 19.1 28.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 75.01 112.54 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.93 147.94 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 72.41 111.104 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 38.9 mt -142.92 107.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.116 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.12 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -53.23 -39.74 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.28 94.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.873 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.85 -34.41 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 75.1 111.111 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.91 -33.38 74.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 71.33 111.073 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.49 -40.89 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.24 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.89 -34.96 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 65.15 111.074 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.78 -41.04 83.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.898 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -54.1 -28.3 38.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.11 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.69 -24.23 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 61.02 111.066 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.58 -12.59 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 72.52 112.525 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.55 145.64 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 74.25 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -87.26 99.54 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.66 132.96 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 73.04 111.102 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.4 t -134.43 111.33 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.158 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptp -110.09 176.61 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 t70 51.83 37.81 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -145.97 139.33 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.92 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.7 t -131.47 129.01 22.09 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 71.14 110.889 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.8 32.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.298 . . . . 73.01 112.304 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.91 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.111 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.102 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.862 0.363 . . . . 74.42 111.112 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.72 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 72.25 111.121 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.3 -32.28 48.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 50.41 112.501 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.52 -36.59 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.4 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.74 -34.5 45.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 60.32 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -77.57 -27.65 51.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.158 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -79.26 -63.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.46 144.49 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 74.03 111.098 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -119.16 103.87 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.839 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.0 m -139.52 143.28 37.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.121 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.23 132.24 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.34 111.131 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.61 133.33 55.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.53 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp -104.73 135.29 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 t -106.98 137.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.22 56.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 70.14 112.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 110.82 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 74.24 111.083 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t -123.49 -169.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.88 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.82 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.909 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -109.7 84.03 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 73.14 110.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 73.52 112.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.53 20.85 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.92 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -120.42 159.37 48.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 75.33 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.17 33.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 74.43 112.336 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -26.78 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.879 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.8 -46.11 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.95 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -53.57 -35.86 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.23 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.29 -30.03 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 63.24 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.0 ttm -61.4 -57.87 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.867 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -70.25 -23.26 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 75.13 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.37 -47.16 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.934 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.6 mt -68.34 -34.53 76.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.35 -46.13 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.948 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -52.01 56.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.52 -24.94 49.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.911 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.09 59.02 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 75.35 112.509 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -121.23 176.92 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 72.33 110.906 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -100.33 107.25 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.38 134.17 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.132 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.3 mt -128.87 76.54 78.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.606 0.717 . . . . 72.21 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.67 19.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 72.43 112.341 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.71 122.04 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.174 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.47 152.4 45.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.701 0.763 . . . . 71.42 110.858 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.66 29.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 64.04 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -105.07 -33.83 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.51 -10.18 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 64.01 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.26 102.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.45 111.134 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.9 16.46 19.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 64.34 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -134.56 171.3 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 74.34 110.864 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.71 112.82 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.01 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.43 115.53 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.1 mt 57.23 26.0 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.81 7.58 68.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 74.41 112.504 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -105.63 133.33 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -61.74 142.12 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.55 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.49 155.93 21.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 74.14 112.504 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -149.48 134.19 17.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 65.31 110.873 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 72.23 111.111 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 t -162.91 152.45 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.51 111.176 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -17.54 58.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.85 -15.98 63.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 60.11 111.113 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -37.89 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 108.35 0.99 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 74.21 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.77 4.89 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.699 2.266 . . . . 72.33 112.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.69 131.09 41.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 127.6 33.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.938 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.31 144.3 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.03 111.155 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.03 -43.7 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.8 ttp -146.4 129.4 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.834 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.1 t -97.96 108.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -80.8 126.24 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.1 t -111.32 117.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.112 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -116.9 -15.09 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.86 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -51.56 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -176.04 -179.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.902 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 t -72.73 -45.88 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.815 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.99 -38.5 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.92 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.33 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.092 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -64.01 -53.69 46.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 74.1 110.882 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.06 -43.17 97.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.53 112.447 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.09 -26.07 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 74.35 111.115 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.24 -55.48 13.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.114 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.23 -43.38 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.943 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.51 -45.33 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.08 70.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.111 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.31 -36.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.04 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.47 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.033 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -71.02 -24.47 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 70.12 111.086 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.0 56.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 74.34 112.462 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 175.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 73.12 111.077 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -116.68 -28.47 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -161.12 158.08 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.5 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -138.65 134.06 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.96 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -131.08 138.61 49.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.2 mt -115.74 -167.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.922 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -85.33 155.46 21.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.55 110.965 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.36 131.79 36.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 74.43 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.13 55.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 74.42 112.471 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.74 148.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 73.4 111.166 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.81 103.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.24 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -116.42 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -51.94 -35.9 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.922 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -47.46 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.948 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.1 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.25 -32.09 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.15 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.54 -39.4 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.12 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.3 tp -55.99 -45.6 78.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.4 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 61.33 111.106 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -69.17 -26.73 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -61.04 -35.16 76.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 64.44 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.5 -23.87 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.13 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.65 -5.84 27.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 73.41 112.509 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 156.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 64.43 110.896 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 94.7 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.55 132.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.54 111.152 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.88 105.86 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.53 111.107 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -104.15 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.854 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 51.73 34.4 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.907 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -150.44 135.89 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.923 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.7 t -127.34 129.71 23.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.619 0.723 . . . . 73.32 110.862 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -21.42 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 73.33 112.363 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.36 74.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.141 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 64.5 111.129 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.842 0.353 . . . . 72.21 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -39.81 68.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.128 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.31 -32.17 52.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 71.34 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.27 -29.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 73.11 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -28.05 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.35 110.91 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.3 t -87.44 -20.37 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.5 111.139 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -87.15 -67.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 64.05 110.857 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 128.38 44.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 65.03 111.144 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -103.7 104.25 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -139.17 130.02 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 64.02 111.141 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -112.33 128.28 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 63.3 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.65 151.52 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 62.41 111.105 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tp -131.71 127.34 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -104.79 126.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.45 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 63.9 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 73.14 112.538 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.73 107.24 18.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 71.42 111.082 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -123.46 -175.32 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -99.51 47.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.872 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -110.61 84.47 4.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 73.44 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 74.51 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.48 24.78 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.896 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -132.69 159.18 73.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 72.12 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -16.42 37.64 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 75.43 112.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -29.08 55.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.834 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -87.8 -44.32 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.885 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -53.79 -32.5 52.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 70.11 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.5 t -77.21 -40.18 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 73.01 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.3 ttm -55.3 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -64.94 -22.35 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.94 -51.49 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.928 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.926 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -76.76 -42.37 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.75 -24.88 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.55 110.942 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.37 44.54 1.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.497 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -119.82 167.36 12.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 74.24 110.919 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.02 117.67 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.4 t -110.66 132.52 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.11 111.101 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.3 79.57 70.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 73.1 111.098 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.75 28.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 74.23 112.31 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.56 121.97 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 73.12 111.181 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 152.09 43.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 74.34 110.899 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.42 36.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 75.54 112.364 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -106.49 -29.92 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.53 -6.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 75.2 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.86 7.68 21.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.481 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -139.82 163.34 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.22 110.9 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.42 122.53 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.169 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.63 122.5 47.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.94 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 mt 58.72 21.78 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.946 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.14 69.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 71.05 112.466 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.72 137.53 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 63.42 110.909 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -72.19 132.39 44.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.869 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.21 159.95 36.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.464 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -148.79 135.39 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 74.5 110.913 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.16 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.04 111.066 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 t -166.86 156.71 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.159 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -24.39 67.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 71.42 110.917 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.5 2.71 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 70.21 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -101.44 -21.1 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 61.51 110.869 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.06 133.16 22.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 73.3 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 74.13 112.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.65 151.21 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -101.93 144.95 29.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.873 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.86 143.84 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 60.03 111.17 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -108.02 -39.56 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 ttp -132.06 112.02 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.884 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.05 108.64 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -89.65 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.794 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -104.52 107.45 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.131 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.3 -2.31 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.899 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -48.17 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -150.93 175.21 12.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -73.94 -60.03 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.904 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -60.32 -25.52 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 71.05 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.12 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.135 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.47 -30.23 19.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.106 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -71.32 -53.32 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.934 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.18 -29.9 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 71.01 112.549 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.82 -37.28 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 74.53 111.121 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.6 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.066 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.78 -42.88 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.43 -44.48 87.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.865 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -37.65 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 61.02 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.9 mt -75.29 -25.42 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 111.098 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.66 -51.59 48.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.067 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.76 -31.19 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.05 111.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.41 52.9 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 73.54 112.463 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.31 171.23 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.31 111.128 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -117.49 -28.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.14 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.93 158.78 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 72.5 111.175 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.6 tp -137.72 102.25 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -99.64 133.76 43.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.909 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.9 mt -108.22 -174.14 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -84.66 144.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.943 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.49 141.14 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.927 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.2 16.03 68.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 71.42 112.44 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.83 122.5 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 64.24 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.07 132.84 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.41 111.081 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.93 106.06 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 54.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.75 -37.61 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.941 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -49.11 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.01 -24.19 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.11 111.071 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.28 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 65.21 111.117 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -73.51 -33.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.54 -28.95 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.57 -39.72 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.51 111.129 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.2 -39.3 59.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.79 -30.65 45.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -24.36 14.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 65.1 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.75 31.32 5.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 75.24 112.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.42 151.21 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.31 110.913 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 m -87.96 100.64 13.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.8 t -91.29 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.15 111.17 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.67 116.42 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.02 111.141 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.97 173.19 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.884 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.17 31.16 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.59 139.12 21.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 75.54 110.848 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -133.43 149.2 71.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.708 . . . . 62.35 110.879 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -29.83 22.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 70.25 112.341 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.43 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.075 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 63.54 111.097 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 74.15 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.06 65.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.09 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.69 -34.13 44.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 64.14 112.455 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.48 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.857 0.36 . . . . 74.25 111.115 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -27.12 26.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 75.15 110.911 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 t -87.86 -20.9 25.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -85.92 -67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.2 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.89 135.35 49.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -110.42 103.92 12.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 74.52 110.885 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -139.41 143.62 37.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.139 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -128.15 137.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.097 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.25 140.43 52.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.102 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -116.16 134.8 54.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 t -106.78 124.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.12 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 51.2 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.803 -0.713 . . . . 54.32 112.497 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.22 112.08 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 73.2 111.122 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -128.12 -169.19 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -92.91 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.845 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -108.71 87.67 4.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.568 0.699 . . . . 74.51 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.48 21.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 74.05 112.323 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -99.42 17.51 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 62.25 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.79 156.44 44.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 71.43 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -23.17 30.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 71.13 112.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -19.07 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 75.2 110.88 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.3 -46.58 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.51 110.919 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -53.55 -39.43 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.866 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 t -77.24 -31.19 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.103 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.6 tpt -59.0 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.87 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.49 -20.64 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.07 -47.77 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.925 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.21 -40.87 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 74.1 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.62 -41.82 87.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.918 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -51.15 63.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.74 -25.1 53.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 51.59 1.37 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 71.42 112.535 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -117.08 172.89 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.23 110.903 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.04 109.05 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 65.51 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.41 144.58 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.44 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -134.25 78.13 58.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 75.44 111.126 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.26 27.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.612 2.208 . . . . 73.23 112.369 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.1 122.27 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.51 111.168 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 75.41 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -13.94 35.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.65 2.234 . . . . 74.34 112.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -106.03 -30.65 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.15 -3.77 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 70.43 111.145 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 95.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.24 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.24 11.38 7.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 70.41 112.499 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -142.95 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 74.1 110.888 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.17 113.53 26.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 70.43 111.144 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.76 116.62 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt 58.27 22.76 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.41 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.83 -9.8 66.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 71.01 112.489 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -94.72 131.42 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 75.54 110.87 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.21 135.49 57.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.44 110.939 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.86 166.78 31.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 73.11 112.49 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -154.24 137.2 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 73.11 110.929 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.44 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 64.23 111.117 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -166.75 153.43 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.95 -17.87 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 71.31 110.96 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.46 4.03 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.09 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.19 -23.2 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.07 133.05 28.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 75.34 111.164 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -42.21 3.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 75.23 112.362 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -59.65 151.12 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.919 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -111.73 133.56 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.27 144.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 62.1 111.131 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.55 -24.32 19.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.859 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.0 ttm -144.22 117.26 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 62.25 110.865 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -94.92 111.0 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -90.81 114.35 26.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.62 114.92 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.14 111.107 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -119.31 -9.94 9.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.4 110.93 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -51.48 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 73.34 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -168.98 -175.78 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.909 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -74.95 -53.15 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -53.53 -36.01 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.4 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.8 -28.54 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 71.1 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.09 63.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.45 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -66.57 -54.35 24.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.946 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.18 -40.33 93.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.442 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.34 -33.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 73.21 111.163 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.89 -57.41 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.085 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.02 -44.79 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.916 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.51 -43.97 97.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 75.12 111.098 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -75.0 -23.15 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.197 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.39 -51.44 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 63.43 111.096 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.66 -27.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.131 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.15 51.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 75.1 112.518 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 71.12 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -127.41 -38.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -148.04 158.37 44.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.113 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tp -136.64 130.98 33.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 75.32 110.94 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -128.74 133.87 48.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.1 mt -111.15 -168.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 75.42 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.6 158.04 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.34 131.74 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.852 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.45 -13.14 56.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 65.3 112.471 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.2 p -93.82 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.34 111.134 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.0 mt -142.96 111.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -125.62 87.76 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.894 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.91 -28.4 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 62.32 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.1 -50.14 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 72.52 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.7 -23.58 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.101 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.17 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.34 111.131 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.77 -32.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.52 111.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 tp -52.68 -28.76 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.3 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.42 -32.52 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.112 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -61.43 -39.67 91.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 64.22 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.84 -31.49 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.49 -24.12 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 61.42 111.084 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.51 -12.07 39.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 62.4 112.46 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 tp -51.77 148.8 5.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 73.5 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 m -86.39 98.73 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.51 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.95 125.57 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.088 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.96 109.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 74.21 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.22 179.6 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.841 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 t0 51.86 38.08 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.97 136.27 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.52 110.903 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.6 t -108.75 129.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 71.05 110.889 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.93 35.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 74.21 112.333 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.36 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 70.42 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.194 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.328 . . . . 75.23 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 41.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.876 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.38 121.41 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 75.54 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -110.06 71.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 70.53 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.2 172.38 12.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 pt -52.16 -27.59 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 53.13 111.108 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.11 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 61.21 111.072 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.13 -31.59 51.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 64.3 112.477 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.28 -37.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 73.55 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -78.75 -35.25 44.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.925 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -76.18 -27.74 57.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.15 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 t -82.25 -63.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.81 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -128.34 124.26 36.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 75.25 111.117 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -107.24 104.31 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -139.26 118.4 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 75.01 111.144 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -108.45 126.14 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 73.33 111.177 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.04 127.97 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 64.32 111.093 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.4 135.47 39.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 75.23 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 24.9 t -105.53 126.45 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 73.22 111.108 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.06 43.76 38.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 64.22 112.47 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.11 95.94 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 60.31 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -106.33 -169.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.846 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.85 44.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.11 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -109.8 83.47 2.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 74.32 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.89 17.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 74.22 112.316 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -98.05 22.81 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 72.11 110.876 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -128.09 159.84 64.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 74.14 110.874 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -19.4 36.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 61.21 112.316 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 m -74.37 -23.84 59.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.821 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -88.6 -48.91 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.905 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -33.95 60.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.02 110.856 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 27.5 m -77.24 -31.08 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.02 111.089 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.4 ttm -65.45 -66.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 72.31 110.846 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -24.01 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.922 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.52 -46.17 70.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 75.31 110.904 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 mt -70.77 -29.31 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.928 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -69.12 -46.76 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 75.45 110.886 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.56 -40.16 88.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 64.31 110.893 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -56.49 -25.35 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.43 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.99 39.7 3.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 51.43 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 68.9 m-85 -118.38 153.99 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 60.13 110.9 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -73.08 104.96 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.2 t -101.67 129.88 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 72.03 111.122 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -127.49 77.35 76.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 74.54 111.091 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 126.5 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.726 2.284 . . . . 74.51 112.346 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.87 122.1 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 64.01 111.114 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.42 46.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 75.32 110.916 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 54.55 112.359 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -103.77 -32.46 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 1.96 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.53 111.119 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.17 99.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 74.34 111.082 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.84 18.89 33.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.677 -0.773 . . . . 75.43 112.522 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -127.18 177.56 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 73.31 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.74 121.02 41.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.83 105.78 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt 60.1 26.01 15.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.77 -10.04 68.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.69 -0.766 . . . . 72.52 112.493 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -94.74 131.48 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 72.53 110.923 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -60.31 136.0 57.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 65.1 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.96 158.71 23.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 52.44 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.2 141.79 26.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 73.33 110.937 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.52 -32.3 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 74.01 111.072 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.0 p -149.02 154.35 39.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.54 111.114 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -15.37 61.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.885 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 11.01 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.25 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -110.94 -21.17 12.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.87 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -81.64 133.09 53.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 73.14 111.153 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -42.17 3.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 75.11 112.338 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.1 135.41 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 71.3 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -80.67 123.86 28.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 74.23 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.05 140.48 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.24 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.41 -26.38 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.864 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ttp -144.87 113.98 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 73.24 110.872 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 65.2 t -90.39 113.92 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.44 111.112 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.65 104.2 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.913 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -104.17 105.13 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 73.14 111.126 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 26.1 m-85 -122.22 -5.17 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.901 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 48.6 mtm180 -52.02 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.15 110.861 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -149.48 -178.24 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 72.04 110.86 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.9 p -74.11 -59.63 2.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 71.1 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.66 -26.29 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 73.41 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -55.75 -30.46 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.103 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -58.55 -35.83 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.126 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -67.15 -54.43 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 75.32 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.96 -42.28 98.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.435 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.1 t -71.6 -25.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 65.13 111.114 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -70.39 -55.89 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -54.1 -44.16 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.07 -45.87 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.35 -50.38 73.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.094 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.95 -26.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.04 -50.68 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 73.12 111.128 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 44.2 pt -71.66 -25.18 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 75.22 111.105 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.96 54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.473 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -68.91 -178.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 75.33 111.11 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -133.6 -40.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 75.52 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -134.01 158.23 44.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.125 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 9.6 tp -142.7 122.43 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.903 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -118.79 127.54 53.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.53 110.892 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.86 -169.97 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.903 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.09 142.49 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 75.24 110.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -76.78 133.39 39.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 63.22 110.913 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -12.72 56.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 73.03 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.95 151.94 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 74.11 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.59 117.52 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 74.32 111.133 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -125.81 98.58 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.87 -29.59 69.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.889 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -49.22 70.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.896 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.35 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 72.02 111.048 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -66.1 -51.11 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.074 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.45 -32.39 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 70.34 111.104 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 23.7 tp -52.91 -28.48 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.908 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.4 -39.31 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 54.11 111.13 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -54.94 -36.31 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.836 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -52.88 -29.21 26.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.76 -23.52 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.41 37.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.476 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tp -51.92 148.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 74.41 110.949 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 98.45 10.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 75.01 110.918 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 10.0 p -91.64 131.19 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 73.0 111.109 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 22.0 t -132.33 105.95 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 61.53 111.073 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -104.42 168.18 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 74.24 110.89 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.81 40.1 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.848 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mtt180 -151.07 136.75 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.4 110.84 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.58 149.7 68.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 71.01 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 65.25 112.363 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.28 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.098 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.9 mt -98.27 -19.89 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 111.158 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -75.5 -26.94 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 73.14 110.893 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.517 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -68.56 -57.59 8.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 63.04 110.919 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.517 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.73 -7.27 20.61 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.675 2.25 . . . . 74.33 112.39 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.95 -29.74 21.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 74.41 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.5 mt -105.87 -28.67 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 75.44 110.927 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 30.11 4.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.496 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.73 26.02 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 72.15 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -87.67 129.58 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 60.34 111.085 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 73.31 110.903 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 74.42 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.34 134.24 20.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 70.33 110.909 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -117.87 49.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 72.43 110.894 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -69.03 -33.49 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 62.23 110.86 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -146.48 178.29 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.1 pt -52.59 -27.38 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 74.04 111.166 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -35.64 63.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 73.24 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.07 -31.69 51.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 55.15 112.481 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -76.18 -36.53 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 65.42 111.115 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.9 -31.33 45.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.935 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -81.52 -25.75 35.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 75.33 111.107 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 t -81.54 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.89 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.47 135.42 49.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 73.11 111.185 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -110.53 103.5 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 73.54 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 85.8 m -139.83 143.54 36.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.148 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -128.43 136.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.15 111.142 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.65 135.57 53.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 61.34 111.113 179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.7 tt -108.79 135.37 50.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.874 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 10.4 p -99.33 135.8 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.105 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.88 60.85 6.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 70.03 112.521 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.68 90.13 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 72.42 111.093 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -106.92 -168.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 63.34 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.66 43.27 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 71.14 110.865 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -109.68 83.94 2.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.582 0.706 . . . . 73.32 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 70.41 112.315 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -98.15 23.88 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -128.61 160.49 62.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 72.35 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.42 36.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 71.24 112.344 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 3.2 p -77.41 -27.7 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.835 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.63 -45.53 10.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.25 -32.82 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 91.3 t -77.09 -38.8 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 54.42 111.153 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.3 ttm -54.77 -57.17 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -66.76 -22.04 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 73.54 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.07 -51.36 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.5 mt -73.28 -25.44 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.936 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.9 mt -76.66 -44.16 35.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 75.42 110.92 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.83 -40.44 79.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.75 -25.35 54.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.08 38.33 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 55.23 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -116.33 164.83 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 65.41 110.933 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -82.82 117.3 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.3 t -113.67 140.06 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.41 111.137 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.83 76.86 76.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.621 0.724 . . . . 75.55 111.111 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 126.99 13.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 74.21 112.312 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.01 122.54 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 74.52 111.108 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.31 152.44 46.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 75.1 110.883 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 73.41 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -106.25 -33.65 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.46 -6.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.124 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.7 103.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.15 111.138 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.48 19.75 21.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 74.11 112.493 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 177.46 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.34 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.4 114.45 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.32 111.143 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -110.57 117.61 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 75.14 110.944 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt 62.78 25.64 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.52 -2.56 86.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 73.24 112.484 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -94.82 143.86 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 74.32 110.942 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -72.02 139.53 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.942 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.03 153.44 20.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.717 . . . . 71.24 112.505 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -147.01 137.99 23.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 73.32 110.939 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.11 -25.4 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 111.111 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -169.56 161.86 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 74.41 111.166 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -15.68 60.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 74.35 110.882 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 11.98 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 75.23 111.118 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -113.14 -21.07 11.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.845 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -88.26 133.08 37.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 73.41 111.142 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -42.29 3.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 74.34 112.37 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.88 140.06 53.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -95.72 126.11 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.88 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -74.55 144.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 73.24 111.097 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.69 -21.38 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.11 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttm -145.48 114.73 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 65.31 110.888 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 50.8 t -97.47 112.89 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 65.11 111.153 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -99.11 115.43 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.887 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 93.7 t -97.82 117.31 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.15 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 76.8 m-85 -119.23 -11.14 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.923 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 15.8 mtt180 -51.35 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 71.45 110.898 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -176.23 177.46 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.52 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.9 p -70.74 -53.64 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 72.13 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -55.16 -29.65 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 75.32 110.881 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.13 -26.4 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.114 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.75 -44.42 63.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -65.41 -52.83 50.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 75.14 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.47 60.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 60.04 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.7 t -78.28 -39.65 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 74.44 111.143 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -53.89 -54.27 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 73.22 111.119 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -55.01 -41.04 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 74.13 110.873 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -66.3 -45.74 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.89 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.42 -48.58 81.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.03 111.119 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.95 -30.98 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.24 111.162 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.81 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 73.22 111.106 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 45.7 pt -74.09 -25.33 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 63.31 111.146 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.98 52.13 0.91 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.492 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -57.9 -179.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 73.12 111.091 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -123.16 -37.34 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.915 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -148.14 158.57 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 74.54 111.115 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -136.21 132.27 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.95 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -131.38 128.62 39.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.945 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 31.6 mt -107.54 -170.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -81.83 145.35 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 72.34 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -75.31 128.53 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.878 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.58 -16.08 34.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 74.52 112.496 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.89 150.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 71.31 111.119 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.9 mt -134.6 115.83 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 75.24 111.143 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.75 87.4 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.31 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 75.4 110.89 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.24 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 71.21 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.87 -32.24 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.088 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -76.68 -41.15 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 73.23 111.169 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 19.2 tp -53.61 -60.34 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.928 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.85 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.083 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -63.21 -34.46 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 75.43 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.41 -41.62 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 72.5 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.06 -24.19 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.1 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.05 -6.1 50.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 73.41 112.488 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.3 tp -51.63 156.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 73.23 110.905 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.94 95.78 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.88 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.58 123.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 73.21 111.112 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.3 t -133.54 105.77 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -109.51 179.98 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.88 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 51.91 36.54 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 39.0 mmt180 -151.1 136.38 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.3 130.68 19.27 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.645 0.736 . . . . 65.01 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.58 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 61.02 112.312 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.38 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 75.32 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.3 mm -98.88 -20.91 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.01 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.01 -28.66 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 61.14 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -67.08 -57.55 10.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 73.51 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.64 2.227 . . . . 75.43 112.359 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -51.77 -29.81 20.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.8 mt -105.68 -30.5 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.46 38.57 2.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 34.44 112.471 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 mt -97.76 -25.87 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 72.23 110.935 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.82 141.1 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.53 111.104 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.927 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.832 0.348 . . . . 70.41 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -101.39 91.02 4.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.91 135.37 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.67 74.05 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.55 110.883 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -164.55 169.4 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.844 179.889 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -51.79 -27.5 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 74.24 111.148 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.78 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 71.14 111.126 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.85 -32.05 51.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.5 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.0 mp -75.51 -31.57 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 74.42 111.15 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.71 -29.62 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 72.42 110.924 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.1 t -82.81 -24.34 33.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.168 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -81.68 -65.39 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 74.42 110.852 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.1 m -128.49 144.53 51.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 71.02 111.129 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -116.42 102.76 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 74.41 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.8 m -140.6 143.53 35.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.14 111.124 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.8 mp -133.17 120.47 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.14 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -113.82 122.24 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.03 111.1 179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.21 127.55 36.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.958 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 69.4 t -98.07 115.5 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 75.31 111.136 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.44 59.72 1.71 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 50.41 112.503 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 94.12 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 74.43 111.144 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -102.69 -169.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.44 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -94.8 44.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 70.43 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -109.95 83.46 2.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.34 18.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 74.4 112.334 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.82 23.11 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -126.04 161.04 53.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.582 0.706 . . . . 72.53 110.86 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.81 36.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 75.04 112.363 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -77.19 -27.49 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.74 -46.12 9.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 73.22 110.938 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -33.34 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 75.44 110.869 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.0 p -77.0 -36.13 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.123 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -62.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -63.24 -22.09 66.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.898 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -70.91 -47.12 60.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.954 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.1 mt -68.4 -34.92 76.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.901 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.9 mt -67.55 -46.76 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 73.51 110.903 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.82 -55.67 24.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.86 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.82 -25.45 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 65.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.72 60.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 74.43 112.534 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.3 m-85 -127.85 155.35 44.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 74.22 110.923 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 74.23 110.874 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.6 t -106.87 134.65 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.144 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.37 77.91 76.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 72.41 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 128.9 16.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 75.02 112.341 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.18 121.95 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 62.41 111.112 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.78 152.53 44.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 73.43 110.88 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.45 28.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 60.12 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -106.26 -33.46 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 72.13 110.869 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.1 p -77.57 -9.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 73.32 111.152 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.31 102.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 64.13 111.115 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.36 17.38 20.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 74.34 112.497 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -133.85 177.72 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 74.22 110.889 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 108.24 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 72.41 111.095 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.6 mt -98.1 111.15 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 75.2 110.886 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt 62.14 25.22 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.901 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.33 77.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.44 112.494 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -94.94 141.39 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -66.02 143.76 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 75.4 110.882 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.91 156.38 20.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.488 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -149.98 133.72 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.41 110.91 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.063 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -145.47 148.31 33.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.55 111.193 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.67 -19.49 65.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.931 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -71.05 -12.75 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 63.35 111.113 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -89.14 -31.49 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.03 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.36 108.52 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 75.23 111.099 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -43.35 2.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 74.51 112.359 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.24 110.6 5.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -52.03 118.91 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 5.1 p -74.09 148.1 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.112 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.61 -32.12 11.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.49 125.9 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 73.32 110.844 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.8 t -113.53 131.47 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 74.21 111.135 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.34 151.24 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.844 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.18 119.43 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 73.23 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -118.8 -10.34 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.881 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -51.61 -72.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -157.34 170.64 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -72.56 -57.47 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.75 -27.46 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 71.35 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.38 -23.6 65.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 75.33 111.087 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 72.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -67.67 -54.4 19.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.926 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.24 -37.9 75.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.75 . . . . 65.35 112.528 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 40.2 t -79.0 -30.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 74.34 111.154 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.5 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.84 -42.65 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.24 110.938 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.24 -38.31 87.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.13 111.093 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.9 mt -70.23 -29.69 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 55.22 111.135 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.64 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.54 111.072 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 26.2 pt -76.32 -30.51 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 71.32 111.069 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.73 80.7 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 73.31 112.482 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -86.89 -169.63 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 71.32 111.112 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.42 -43.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.914 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.69 158.23 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 71.02 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.4 tp -138.72 105.85 5.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -103.63 137.94 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.923 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 52.6 mt -111.17 -179.26 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 75.04 110.875 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -87.13 139.21 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.94 135.84 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.23 18.04 65.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 55.53 112.518 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.43 127.74 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 73.22 111.118 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.9 mm -129.19 115.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.156 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -120.72 91.82 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.891 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.5 tt0 -52.01 -36.8 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 73.42 110.891 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -52.73 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 64.21 110.927 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.54 -25.93 40.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 64.34 111.085 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.7 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 70.22 111.074 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -60.0 -47.63 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 70.51 111.129 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.92 -52.22 51.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.92 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.13 -33.45 76.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 72.34 111.102 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.38 -46.2 89.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -82.28 -24.14 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 74.22 111.104 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.69 39.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 74.05 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.1 tp -51.84 153.82 2.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 75.43 110.912 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -91.12 95.85 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.59 130.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.5 t -134.96 112.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.12 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.51 178.53 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 74.21 110.892 179.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.25 30.45 7.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.13 161.31 37.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 72.15 110.881 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.5 t -156.71 129.46 4.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 63.31 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -22.9 31.17 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.258 . . . . 74.05 112.352 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.55 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.24 111.069 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.2 mt -98.77 -18.16 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.128 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.881 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.3 tp -67.63 -57.57 9.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 72.45 110.871 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.8 -7.05 20.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 73.32 112.306 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -51.96 -29.67 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.837 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.8 mp -97.14 -29.49 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 75.21 110.891 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.61 5.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 64.43 112.478 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.26 -25.87 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 74.21 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.7 146.84 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.064 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 39.7 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 70.15 110.901 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.857 0.36 . . . . 71.03 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -115.75 155.29 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.899 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.43 -26.22 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -104.91 162.1 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -94.24 -23.85 17.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 72.01 110.87 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.8 pt -52.81 -27.49 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.1 111.125 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.7 68.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 60.12 111.049 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.91 -33.06 47.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 65.55 112.525 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.38 -30.99 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 74.22 111.112 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -28.02 25.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.924 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.3 t -86.23 -21.6 27.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.159 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -84.91 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.49 140.4 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.103 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -110.24 103.75 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 89.1 m -139.56 143.68 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.141 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -129.57 134.84 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.45 111.165 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.53 141.48 51.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.093 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.7 tp -115.87 135.37 54.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.23 110.918 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 99.2 t -112.1 106.52 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 71.03 111.165 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.07 59.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 63.53 112.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.39 135.1 38.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 75.51 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -150.74 -169.51 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 65.13 110.857 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.54 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 74.54 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -110.06 83.19 2.85 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 65.42 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.17 17.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.262 . . . . 74.31 112.343 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.05 24.94 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.15 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -129.1 159.09 70.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 72.13 110.845 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 -16.71 37.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 74.2 112.381 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -25.52 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.88 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.37 -46.99 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.922 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -53.68 -34.64 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 74.04 110.866 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 87.1 t -77.23 -39.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 72.51 111.095 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttp -54.35 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 73.15 110.885 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.34 -20.26 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.97 -49.47 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.892 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 69.5 mt -70.85 -28.62 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 73.11 110.896 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.1 mt -72.38 -43.28 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.917 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 75.21 110.882 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -56.85 -25.29 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.43 44.11 1.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 61.14 112.473 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -125.35 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 73.53 110.943 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.17 121.93 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 35.2 t -114.33 131.6 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 72.43 111.174 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mt -124.91 75.25 66.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.639 0.733 . . . . 72.24 111.186 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 136.54 33.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 75.32 112.337 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.83 122.31 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 72.02 111.114 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 152.53 46.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 74.34 110.85 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.7 24.28 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 74.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -106.21 -34.0 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 72.2 110.944 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -78.94 -7.75 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.3 111.113 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.6 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 75.51 111.103 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.86 19.03 20.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 72.02 112.467 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -134.18 177.63 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 74.22 110.926 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.97 117.96 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 75.24 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -108.18 114.67 28.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 mt 58.75 25.92 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 72.35 110.936 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.31 6.4 68.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 72.05 112.463 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -103.21 131.29 50.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 72.25 110.872 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -62.18 141.59 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.22 154.62 20.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 75.41 112.522 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -147.15 137.13 23.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.914 0.387 . . . . 75.23 110.938 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.54 -31.04 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 74.2 111.098 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 t -157.68 151.49 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 73.35 111.149 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -18.23 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 61.15 110.891 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.57 -18.37 64.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.99 -31.01 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.823 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.3 t -50.4 108.47 1.03 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.643 0.735 . . . . 73.23 111.112 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.39 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 72.11 112.38 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -66.5 118.54 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 65.13 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -70.62 116.07 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.849 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.58 144.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.113 179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.91 -24.23 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 63.42 110.849 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.0 ttm -143.45 118.77 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 74.01 110.88 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 23.9 t -103.01 115.58 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.111 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -102.32 138.18 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.899 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.83 119.02 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.156 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -119.74 -9.02 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 73.13 110.869 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.66 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 73.14 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -168.15 171.76 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -68.0 -59.08 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 51.03 110.862 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.82 -28.09 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.21 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.63 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.089 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -41.58 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 63.43 111.136 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -67.75 -52.97 31.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.16 -38.51 77.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 71.13 112.476 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.3 t -78.92 -33.69 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 63.33 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.65 -55.48 34.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.093 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.15 -42.5 63.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.918 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.79 -44.56 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.858 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.72 77.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 72.55 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 21.6 mt -74.92 -23.7 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 74.21 111.105 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.62 -51.42 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 74.31 111.11 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.35 -30.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 71.11 111.136 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.01 52.6 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.811 -0.709 . . . . 72.54 112.509 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -59.57 177.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 61.44 111.109 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -117.88 -30.16 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 74.41 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.1 m -152.82 158.1 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.6 tp -133.37 114.09 13.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 74.21 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -115.68 136.74 52.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.931 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.3 mt -112.09 179.04 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 73.32 110.869 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 -85.27 134.4 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.913 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.88 127.08 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.908 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.96 18.21 16.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 62.02 112.463 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.0 p -117.97 144.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 74.45 111.173 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -142.6 101.36 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 74.43 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -128.09 87.99 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 71.25 110.904 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -51.83 -34.17 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.864 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.18 94.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.903 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.116 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.087 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.0 t -77.98 -43.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 65.32 111.172 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.0 tp -51.98 -43.85 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 64.53 110.905 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.35 -29.26 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.41 111.059 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -70.69 -37.45 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.885 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.31 -35.65 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.23 -24.29 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.42 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.44 -10.25 33.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 73.11 112.445 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tp -51.75 153.46 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.802 0.334 . . . . 73.51 110.873 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -88.45 99.91 12.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.877 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.62 127.56 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 75.02 111.128 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.13 109.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.3 111.112 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.86 -177.53 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.854 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.86 39.69 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 52.51 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -142.0 149.96 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.906 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.9 t -153.66 129.5 5.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.557 0.694 . . . . 74.12 110.887 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.92 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 74.5 112.366 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.93 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 74.41 111.101 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.2 mt -98.08 -20.66 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 74.44 111.142 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 9.7 tm-20 -79.5 -16.15 56.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.898 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.53 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -70.17 -57.75 5.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 74.43 110.962 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.53 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.79 -23.74 30.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 74.42 112.317 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -57.76 -21.62 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.877 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.2 mp -95.21 -30.64 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.886 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.24 39.84 4.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 73.51 112.455 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.9 mt -116.37 -25.64 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 74.41 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.77 140.26 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 62.54 111.076 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.872 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 65.43 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -112.07 110.83 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -120.08 72.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 73.25 110.927 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -152.02 -178.92 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 75.14 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -110.15 -75.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.854 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt -51.67 -27.45 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.54 111.132 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.52 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.077 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.02 -32.08 50.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 75.2 112.514 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.02 -36.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 74.21 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -78.84 -31.61 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.941 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -81.15 -25.87 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.14 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -81.83 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.837 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -128.47 134.2 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.54 111.153 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -108.84 103.38 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.843 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 75.8 m -139.75 142.07 36.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 73.53 111.176 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.07 136.06 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.095 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -126.24 143.33 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.132 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -115.74 135.4 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 65.33 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 57.9 t -106.44 119.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 64.54 111.128 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.83 61.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 70.32 112.48 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 115.76 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 73.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 p -131.23 -176.02 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.869 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.38 43.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 54.02 110.887 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -109.82 83.69 2.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 74.13 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.28 18.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 71.21 112.352 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -96.87 24.49 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.887 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -130.23 160.04 67.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 75.25 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -20.44 34.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.31 112.33 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -24.86 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.42 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.14 -48.91 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 75.32 110.968 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -54.8 -35.05 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 71.11 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.22 -31.95 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.111 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 1.7 tmm? -62.77 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.89 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.52 -21.53 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 75.1 110.925 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.46 -47.36 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 72.33 110.925 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 80.4 mt -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 70.4 110.914 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 10.8 mt -72.38 -46.22 56.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 74.2 110.877 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.48 -41.06 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -57.07 -25.25 58.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.916 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.56 42.46 2.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.33 112.529 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 -120.11 157.89 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 75.44 110.904 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -79.23 114.62 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 74.15 110.853 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 21.8 t -110.51 133.64 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.02 111.135 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -128.66 77.01 78.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 75.03 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 138.01 36.78 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 71.02 112.351 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.25 122.38 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 72.11 111.12 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.46 151.9 44.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 64.24 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.71 26.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 75.41 112.319 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -106.4 -32.76 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.31 110.91 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -79.02 -9.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.118 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.32 104.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.076 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.93 18.79 23.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 62.12 112.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -133.02 177.58 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 74.55 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.96 119.88 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.41 111.168 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.76 113.5 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.55 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 27.2 mt 62.8 27.8 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.964 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.01 -0.06 85.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 55.33 112.498 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.9 mm-40 -95.15 138.42 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 75.45 110.891 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.91 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 74.01 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.77 153.47 20.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 53.33 112.509 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -146.07 136.0 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 72.42 110.889 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.18 -25.37 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 75.43 111.095 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -168.05 156.07 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.02 111.124 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.99 -25.8 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.24 110.901 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.75 0.5 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.151 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.71 -20.07 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 74.41 110.896 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -102.57 133.03 20.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 74.54 111.17 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -42.27 3.58 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.385 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.19 139.78 28.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -102.9 118.87 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.2 p -74.11 142.71 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.137 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.76 -24.18 17.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.905 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 24.1 ttm -142.74 113.93 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 74.53 110.857 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 53.0 t -95.86 111.1 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 73.3 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -97.99 132.53 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.885 179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.56 125.6 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 61.15 111.131 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 56.6 m-85 -131.07 9.03 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 73.34 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -64.77 -73.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.886 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -161.96 179.19 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.861 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -74.32 -60.29 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 72.33 110.833 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.65 -25.67 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -76.94 -23.59 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 75.55 111.116 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -38.57 54.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.074 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -68.14 -54.48 17.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 72.54 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.98 -39.1 67.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 41.1 t -75.0 -33.18 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 74.02 111.153 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -58.02 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 71.45 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.69 -42.59 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.938 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -61.8 -38.89 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.901 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.01 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.3 111.084 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 51.3 mt -73.85 -29.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 73.51 111.123 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.29 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.088 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 35.7 pt -70.62 -24.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.123 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.64 49.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.442 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.68 -176.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 72.33 111.101 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -127.84 -37.93 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 75.34 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.59 158.46 44.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.168 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 tp -140.54 103.79 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -99.91 137.02 38.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.906 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 86.9 mt -112.75 -173.99 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 74.25 110.971 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -86.56 151.88 23.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.916 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.48 142.8 56.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.16 74.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 74.01 112.504 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.8 t -122.17 100.82 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 72.41 111.1 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mt -99.31 109.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 73.41 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -113.77 87.39 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -52.68 -35.71 55.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 74.13 110.928 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -52.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 73.14 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.82 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 62.22 111.121 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -77.19 -34.34 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.42 111.129 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.14 -44.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 73.43 111.129 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -51.51 -52.18 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 75.42 110.925 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -66.1 -29.63 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.105 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.85 -24.98 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.18 -33.38 67.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 73.41 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.63 -24.38 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 73.15 111.092 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.64 -6.83 33.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 71.35 112.464 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 1.8 tp -51.87 164.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.325 . . . . 70.12 110.964 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -103.04 95.68 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 74.3 110.83 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -91.54 140.43 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 75.21 111.131 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.6 t -140.62 108.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 63.31 111.112 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -108.13 175.07 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.919 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.8 t0 60.44 31.36 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 75.32 110.876 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -143.83 168.24 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 74.22 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.07 138.46 3.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.41 110.893 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.3 28.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 74.31 112.318 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.05 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.1 mm -98.54 -21.19 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 71.05 111.132 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -76.24 -27.33 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 75.22 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.535 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -67.21 -57.54 10.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 74.52 110.943 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.535 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.77 -7.43 21.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 74.1 112.356 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.88 -30.16 22.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.898 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.52 -30.47 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.82 30.45 3.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 75.12 112.469 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.0 mt -86.2 -24.86 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 73.33 110.935 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.32 172.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.53 111.121 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 74.35 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.845 0.355 . . . . 73.53 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 138.78 57.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -113.84 -26.37 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 75.21 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.84 150.33 29.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 74.23 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.85 -23.47 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.862 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.8 pt -52.44 -27.61 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.23 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.94 -39.37 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 53.12 111.115 179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.42 -32.95 49.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 74.14 112.509 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.39 -30.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 74.45 111.158 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.12 -27.38 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.926 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -87.71 -20.71 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 73.33 111.131 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -85.42 -67.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.872 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 t -128.54 132.15 48.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.151 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -109.01 104.02 13.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 75.44 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 m -139.43 141.62 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.169 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mp -132.49 136.42 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 71.24 111.106 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -129.06 131.71 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 50.25 111.095 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 135.45 39.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 43.4 t -106.04 119.6 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.45 111.145 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.38 48.11 5.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.475 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.3 119.73 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 63.24 111.096 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -123.96 -175.51 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 70.34 110.859 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.29 43.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 64.23 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.93 87.55 4.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 72.04 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 71.23 112.34 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.44 23.93 11.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.88 160.78 47.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 73.13 110.856 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -18.77 36.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 74.54 112.367 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -76.95 -27.3 54.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -88.19 -45.59 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 73.11 110.908 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -53.48 -33.4 54.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 65.45 110.857 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.1 p -77.15 -36.2 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.138 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttm -58.53 -61.7 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -64.56 -21.05 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.65 -47.27 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.9 mt -67.36 -40.56 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 74.12 110.892 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.05 -46.84 87.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.66 -53.73 54.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 70.23 110.816 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -57.56 -25.38 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.29 53.91 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 63.1 112.494 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -124.33 168.25 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 74.44 110.926 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.07 114.38 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 73.41 110.889 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -108.89 142.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.05 111.166 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -129.44 77.96 76.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 74.43 111.144 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.83 12.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 73.12 112.322 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.83 122.21 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 74.24 111.147 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 152.86 47.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 75.33 110.906 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.72 24.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 75.11 112.335 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.31 -34.25 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.34 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.54 -5.74 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.124 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.22 100.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 72.44 111.067 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.38 20.46 15.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 72.1 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -136.89 170.55 15.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 75.32 110.912 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 119.62 35.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 74.21 111.183 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -111.38 116.95 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.936 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt 58.34 22.88 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 75.52 110.932 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.48 6.46 66.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 55.33 112.478 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.0 mm-40 -105.98 133.85 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 74.24 110.912 -179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.61 142.11 57.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 75.33 110.855 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -98.95 155.47 20.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 73.55 112.485 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -148.23 138.49 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 73.11 110.933 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.08 -26.35 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.116 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -161.26 152.14 18.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.33 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -64.6 -15.51 61.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.894 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 11.76 21.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.166 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -113.08 -20.6 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.876 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -82.7 133.16 49.76 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 75.52 111.095 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -42.08 3.69 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 74.1 112.369 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.76 151.52 45.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -101.13 144.52 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.25 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.5 p -91.29 144.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 74.42 111.078 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -91.93 -37.43 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.863 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 ttp -140.35 114.16 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 32.3 t -80.77 106.9 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 75.05 111.136 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.65 99.7 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.8 107.46 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.143 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -119.8 -9.29 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.862 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -51.55 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.21 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -174.77 178.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 72.3 110.887 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.5 p -68.11 -53.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.12 -36.63 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.834 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.87 -28.7 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.21 111.073 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -42.61 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.53 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -63.09 -54.48 37.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.909 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.76 -39.24 61.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 72.25 112.523 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 58.6 t -75.93 -34.27 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 75.2 111.078 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.66 -54.21 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.048 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.45 -42.03 91.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -58.59 -45.96 88.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.913 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.84 -39.38 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.31 111.111 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 48.6 mt -68.54 -28.44 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.32 111.119 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.15 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.22 111.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 40.3 pt -83.01 -27.83 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 75.31 111.132 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.79 58.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.474 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -70.25 -169.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 75.32 111.105 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 21.0 mtmt -130.0 -40.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 71.11 110.868 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -142.1 158.43 43.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.117 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.9 tp -140.07 121.89 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.937 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -120.37 126.93 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 64.53 110.866 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 50.3 mt -99.95 -175.51 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 75.54 110.926 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -85.85 135.21 33.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.896 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.2 125.05 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 72.13 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.19 20.28 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 54.21 112.499 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.5 p -116.32 145.32 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 74.2 111.127 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 61.9 mt -143.33 101.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 72.34 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -120.35 90.84 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.922 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 70.2 tt0 -53.08 -32.78 48.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.853 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -53.71 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.22 -27.72 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.126 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.16 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.088 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.6 t -73.35 -43.32 56.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 75.13 111.085 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.82 -53.75 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.925 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.04 -34.21 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 64.14 111.118 179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -67.68 -31.33 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.81 -47.79 76.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -80.75 -24.23 38.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 72.52 111.154 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.98 -5.39 36.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 61.44 112.488 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.88 163.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 65.12 110.91 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.43 95.48 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.853 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -91.65 143.28 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.055 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.7 t -144.71 109.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.44 111.108 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.79 177.19 4.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.931 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 t70 51.95 35.01 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 62.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -144.79 159.32 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 73.12 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -158.3 133.09 5.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 75.33 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.59 37.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 73.44 112.318 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.45 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.9 mt -98.32 -18.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 73.14 111.15 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -74.08 -28.06 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 63.2 110.866 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.526 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.3 tp -69.14 -57.68 7.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 74.14 110.916 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.526 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.9 Cg_endo -69.73 -7.29 20.68 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.64 2.227 . . . . 75.41 112.351 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -51.93 -29.76 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.935 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -88.69 -30.85 18.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.893 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.95 34.92 5.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 63.12 112.448 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.3 mp -115.27 -26.91 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.767 0.317 . . . . 74.45 110.92 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -52.58 150.59 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.094 179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.959 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.878 0.37 . . . . 65.43 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.12 154.57 25.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 74.45 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -79.49 113.68 17.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -151.56 178.55 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.851 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.27 -22.7 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.894 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 pt -52.6 -27.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.54 111.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.97 -36.98 65.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.51 111.155 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.71 -34.12 44.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 75.32 112.526 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.86 -30.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 75.22 111.135 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.32 -26.97 26.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.941 179.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -87.88 -21.65 24.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 75.13 111.142 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 t -84.14 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -128.34 143.52 51.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.23 111.153 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.51 103.93 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.54 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -139.48 143.46 37.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 72.04 111.133 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mp -130.26 118.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 72.43 111.12 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.85 124.95 53.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.12 111.088 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.3 tp -94.28 135.45 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.88 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.73 117.5 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.112 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.23 74.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.12 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.03 155.07 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 74.32 111.11 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -168.62 -169.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -95.0 44.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -109.91 83.41 2.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 74.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 74.52 112.374 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -97.34 24.82 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 74.01 110.831 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -132.43 159.53 71.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.55 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -14.39 35.89 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 64.42 112.344 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -26.21 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 70.23 110.889 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.52 -46.72 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.912 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -53.44 -34.05 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 74.31 110.828 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 97.5 t -77.32 -36.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 75.1 111.092 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ttt -57.81 -63.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.17 -22.31 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.923 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.0 -51.37 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 74.24 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 97.1 mt -64.06 -35.65 81.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.935 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.62 -37.92 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.24 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.76 -55.84 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -59.45 -25.37 64.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 71.25 0.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 53.34 112.528 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 33.0 m-85 -136.45 168.89 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 72.42 110.9 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -89.79 103.74 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 93.1 t -100.25 130.08 50.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 75.12 111.128 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mt -129.42 79.37 74.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 75.2 111.169 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 149.38 67.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 75.52 112.396 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.13 121.75 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 75.23 111.1 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -146.73 151.87 43.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 74.33 110.863 -179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.86 31.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 54.52 112.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -106.54 -26.36 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.918 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.7 m -89.01 11.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.12 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.41 82.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.09 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 2.77 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 73.34 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -121.59 159.34 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 75.45 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.54 111.14 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 75.44 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.38 110.41 21.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 63.3 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt 59.49 20.62 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 73.12 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.23 -9.68 54.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 62.41 112.493 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.7 123.89 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 62.02 110.896 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -60.83 129.16 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.75 172.06 43.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 75.42 112.477 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -156.23 136.66 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 75.24 110.943 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -57.94 -25.18 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 73.12 111.047 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -172.59 164.4 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.115 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.1 pp -64.71 -15.45 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.885 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 12.05 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.55 111.094 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -112.08 -20.84 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.866 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -86.0 132.91 42.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 72.12 111.093 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -42.69 3.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.719 2.279 . . . . 70.43 112.357 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.03 151.76 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 71.5 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -101.74 133.07 47.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.884 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 6.3 p -74.09 144.13 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.137 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -95.14 -33.92 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.797 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.2 ttp -139.8 111.64 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.52 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 24.0 t -88.6 123.62 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 73.2 111.102 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -111.23 121.11 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 73.44 110.879 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -107.49 116.55 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 64.15 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 66.8 m-85 -120.07 -9.09 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.887 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -51.32 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 74.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -156.08 179.52 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 73.03 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.3 p -73.88 -56.09 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 74.33 110.867 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.3 -28.37 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 53.12 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.69 -26.58 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 72.03 111.093 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -42.01 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 71.12 111.073 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -66.24 -53.75 33.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.42 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.72 -39.92 77.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.1 112.472 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 76.8 t -75.33 -35.92 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 74.22 111.155 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.3 48.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.12 111.143 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.28 -42.09 90.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.4 110.881 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -60.42 -46.56 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 70.51 110.947 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.35 -50.05 71.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 64.31 111.123 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.39 -32.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 74.1 111.159 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.9 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 54.24 111.103 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 33.0 pt -74.15 -30.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 65.42 111.108 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.04 60.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -69.61 178.17 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 61.21 111.111 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.29 -34.48 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 74.25 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -149.05 157.88 43.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 73.41 111.169 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.6 tp -138.76 132.47 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 73.51 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.4 t-105 -129.96 142.88 50.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 72.3 110.934 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.4 -173.86 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.91 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -80.36 169.55 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 74.11 110.881 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.89 133.05 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.43 110.931 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.83 -12.24 68.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.488 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 10.6 p -90.19 141.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 73.14 111.147 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.7 mt -135.48 105.4 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 74.31 111.121 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.07 90.26 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -60.72 -36.09 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.916 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -40.9 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 73.4 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.76 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.047 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.97 -33.85 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 70.14 111.113 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.7 t -76.12 -45.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.145 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.27 -35.11 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 71.04 110.884 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -86.08 -30.65 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 75.14 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.98 -33.05 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.835 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.79 -35.15 76.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.885 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.3 -24.05 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 75.02 111.141 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.13 -10.87 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 71.55 112.52 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.81 160.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 73.01 110.951 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -104.52 94.88 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.22 110.823 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -92.44 134.14 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.095 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 30.3 t -137.56 108.11 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.088 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.2 ptt? -107.29 -178.58 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.14 110.896 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.65 34.7 16.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 72.0 110.835 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -148.02 137.54 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 73.34 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.3 t -125.57 129.06 24.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 63.53 110.842 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -15.08 36.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.278 . . . . 73.52 112.366 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 74.25 111.106 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -98.16 -19.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 53.43 111.096 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -70.56 -47.76 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.4 tp -50.82 -56.93 15.53 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 74.52 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.9 Cg_endo -69.71 -4.35 13.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.261 . . . . 71.33 112.332 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.47 -35.91 39.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 73.52 110.916 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.07 -30.83 6.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -96.12 -23.42 17.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 63.32 112.487 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 64.09 27.29 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 74.12 110.923 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.83 168.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 73.1 111.154 179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 75.1 110.875 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 73.21 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -79.07 -52.42 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 74.1 110.923 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 57.1 26.71 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.21 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -95.03 -65.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.32 110.844 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.95 164.35 26.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 73.33 110.859 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 pt -53.17 -27.37 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 75.55 111.127 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.92 -37.12 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.091 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.64 -34.3 44.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 75.51 112.507 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.9 mp -75.73 -29.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.911 0.386 . . . . 73.53 111.177 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.4 -27.15 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 64.11 110.944 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -88.0 -21.43 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.108 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -84.15 -67.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.862 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.37 141.06 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 73.35 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -114.84 103.7 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 75.43 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.8 125.52 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.108 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.4 mp -115.51 134.96 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 70.4 111.104 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 71.34 111.144 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 120.72 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 67.8 t -90.12 114.22 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 72.3 111.14 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 65.92 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 62.31 112.453 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.99 107.2 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 72.12 111.098 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.38 -168.82 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 71.42 110.82 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -92.43 43.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.15 110.818 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -109.65 84.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 75.13 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.42 18.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 71.41 112.296 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.49 25.5 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 72.25 110.851 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -129.6 160.15 66.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 75.34 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -16.39 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 63.25 112.318 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -77.49 -27.96 52.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 54.24 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.71 -44.93 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.89 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.19 -31.82 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.44 110.877 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 90.7 t -77.08 -41.23 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.114 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 24.3 ttp -54.81 -60.14 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.41 110.862 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.08 -22.45 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.06 -48.44 62.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.44 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 88.5 mt -70.75 -35.1 72.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.918 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 45.9 mt -65.8 -38.92 90.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 63.52 110.891 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.55 -46.47 38.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.891 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -56.92 -25.3 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.85 53.4 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 64.13 112.512 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -133.26 176.25 8.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.383 . . . . 73.42 110.928 -179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.39 114.19 28.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.4 t -105.32 124.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 71.34 111.166 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mt -113.99 77.61 3.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.612 0.72 . . . . 72.42 111.122 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 145.74 58.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 75.33 112.363 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 12.4 p -135.42 122.36 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.153 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -147.4 151.77 40.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 74.42 110.879 -179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.735 2.29 . . . . 75.12 112.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -106.77 -26.6 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.94 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.1 m -88.91 10.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.081 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.3 82.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 74.2 111.107 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.73 1.2 6.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 74.13 112.488 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 156.29 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 70.41 110.916 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.93 108.95 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 72.3 111.107 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 113.93 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.927 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.6 mt 57.04 25.43 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 75.13 110.944 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.13 65.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.497 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -94.72 121.37 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 74.24 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -61.87 131.15 48.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 75.31 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.51 42.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.508 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -155.69 136.84 13.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 73.31 110.895 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.16 -37.64 77.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.081 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.8 t -154.3 166.07 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.125 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -68.2 -15.26 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.883 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.87 11.74 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.103 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -117.93 -13.62 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 3.3 p -99.15 104.72 27.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 74.41 111.114 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.07 24.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.733 2.289 . . . . 75.22 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.71 126.6 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 73.4 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.74 117.35 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.24 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.02 145.41 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 73.11 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.03 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.899 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.4 tpp -141.94 127.32 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.2 t -106.53 97.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.23 133.41 42.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.852 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.58 109.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 72.24 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -124.97 -1.92 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.838 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -51.77 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 74.45 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -157.0 177.61 11.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.5 m -74.95 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 74.14 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.13 -28.54 70.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.52 -25.01 50.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.069 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.1 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.058 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -68.12 -52.47 34.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 74.13 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -36.35 76.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 73.21 112.455 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.3 t -80.68 -32.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 74.24 111.158 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -62.7 -49.15 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.061 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.33 -43.29 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.898 -179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -65.7 -45.76 81.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 73.33 110.848 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.35 -48.16 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 65.43 111.123 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.61 -30.55 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 74.11 111.101 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.16 -49.89 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.45 111.025 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 36.1 pt -71.27 -30.24 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 75.32 111.128 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.12 55.82 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.448 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.81 177.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.51 111.088 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -121.6 -34.62 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.24 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -153.23 158.39 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 71.43 111.162 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.9 tp -135.38 129.39 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.0 t-105 -129.5 129.63 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.917 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 34.9 mt -112.13 -169.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 71.34 110.893 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.73 149.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.6 tp -77.27 137.05 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 75.23 110.945 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.2 -22.24 40.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 71.23 112.509 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.89 149.92 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 75.12 111.125 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.0 mt -141.38 112.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 75.34 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.34 95.52 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -51.18 -48.34 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.858 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -47.45 85.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 73.5 110.952 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.82 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 60.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -46.7 39.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.31 111.069 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.0 t -59.76 -39.98 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 74.24 111.155 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -54.04 -58.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 71.42 110.9 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.23 -27.97 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 61.42 111.066 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -66.79 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 73.44 110.926 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.46 -35.82 80.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.927 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.52 -24.12 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.44 111.116 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.78 -8.6 54.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 75.31 112.486 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.6 tp -52.1 149.46 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 72.3 110.907 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 m -81.82 97.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.54 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.98 123.46 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 71.3 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 60.1 t -121.93 105.69 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 72.24 111.173 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 33.1 mtm -104.25 178.46 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 73.24 110.901 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 41.65 40.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 54.7 mmm-85 -150.27 133.39 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.894 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.8 t -136.57 129.45 17.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 73.33 110.906 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 2.259 . . . . 74.23 112.369 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.33 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.105 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 39.9 mt -98.36 -18.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 75.24 111.094 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.8 tm-20 -74.43 -28.04 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 72.44 110.922 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -68.71 -57.67 7.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 73.3 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.78 -7.18 20.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.651 2.234 . . . . 71.03 112.319 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.86 -29.88 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 74.53 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tp -90.58 -30.49 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.99 37.46 5.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 54.12 112.481 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.34 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 74.24 110.877 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.65 153.02 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.54 111.117 179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.957 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.834 0.35 . . . . 74.25 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -156.58 114.07 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 73.5 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -136.19 119.09 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -102.99 54.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.913 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -143.99 160.32 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 pt -52.69 -27.54 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 71.02 111.153 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.09 -38.9 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.102 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.86 -32.96 47.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.471 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.25 -30.86 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 73.54 111.175 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.28 -27.79 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.4 t -86.61 -21.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 71.31 111.149 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.44 110.889 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 144.65 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 64.42 111.171 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -117.11 103.79 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.9 m -139.6 143.64 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 64.22 111.148 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -127.28 135.09 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.112 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.45 132.05 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 70.21 111.153 179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -110.55 135.56 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.899 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.53 133.32 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 73.11 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.11 51.01 5.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 64.2 112.477 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.39 139.42 30.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 63.23 111.119 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -157.4 -169.31 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 65.33 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.12 41.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 65.45 110.837 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -110.24 82.96 2.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 74.04 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.93 17.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 72.05 112.349 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -98.65 26.41 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.851 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -131.6 160.07 69.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 65.33 110.874 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -16.38 37.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.722 2.281 . . . . 71.31 112.359 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.21 -27.68 53.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.816 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.58 -44.67 11.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -30.39 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.42 110.857 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 92.7 t -77.1 -35.87 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 71.22 111.148 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.5 tpt -61.44 -60.23 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.872 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -24.87 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.43 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.46 31.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.919 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 mt -67.06 -36.99 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 75.3 110.889 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 25.9 mt -70.06 -28.94 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.926 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.77 -55.97 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.861 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -57.69 -25.24 60.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 45.14 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.68 43.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -107.19 172.88 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 74.11 110.928 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -101.93 110.29 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 18.8 t -107.1 147.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 75.21 111.122 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -135.57 80.45 44.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.631 0.729 . . . . 75.33 111.146 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.14 39.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 64.45 112.375 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -133.52 121.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 71.41 111.159 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.72 151.95 43.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 71.14 110.819 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.76 26.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 72.11 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -107.0 -31.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 70.24 110.919 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 m -81.48 0.48 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 61.12 111.116 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.65 90.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 72.21 111.067 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.48 1.61 10.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 63.24 112.492 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -116.54 177.75 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 73.31 110.897 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.26 103.61 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.157 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -88.86 112.84 23.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 74.12 110.899 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.7 mp 56.46 29.44 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.13 -3.89 77.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 44.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.4 mm-40 -94.68 126.34 39.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 70.12 110.926 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -67.38 119.24 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 64.43 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.23 171.08 43.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 54.42 112.468 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -155.95 135.7 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 75.13 110.91 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 75.43 111.11 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -150.38 147.23 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 73.3 111.142 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -65.05 -15.2 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.973 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.78 12.68 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.106 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -112.8 -20.62 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.89 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -79.66 132.95 59.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 62.3 111.173 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -42.56 3.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 74.25 112.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.08 130.94 45.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 71.43 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -91.22 117.54 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 74.43 110.935 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.0 p -74.26 144.57 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 72.1 111.133 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 7.8 t0 -97.69 -24.14 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.842 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 12.6 ttp -139.14 113.52 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.868 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.4 t -97.23 114.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 73.44 111.113 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -98.7 129.2 45.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 71.55 110.881 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -116.15 116.4 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.24 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 72.1 m-85 -121.32 -6.3 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.87 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -51.1 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.91 -179.76 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -74.2 -55.2 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.838 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.41 -27.37 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 71.32 110.919 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 75.22 111.123 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.27 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 73.32 111.099 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.8 t-105 -65.36 -54.28 31.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.57 55.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 64.35 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 38.4 t -78.51 -38.18 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 73.03 111.153 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -58.71 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.102 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -53.19 -43.13 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.51 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -58.42 -43.18 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.893 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -68.36 -38.79 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.4 111.073 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 34.4 mt -70.78 -25.24 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.24 111.146 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.6 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 54.11 111.13 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 25.2 pt -76.99 -30.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.153 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.04 78.72 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 63.23 112.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -84.16 -173.12 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 75.31 111.136 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.96 -38.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 75.11 110.874 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.38 158.29 43.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.148 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 tp -136.51 119.22 16.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.6 t-105 -118.07 137.79 52.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 65.05 110.945 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 51.8 mt -110.59 -173.1 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 72.1 110.867 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.5 tp60 -89.41 125.93 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.922 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -51.75 114.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.879 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.07 5.89 16.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 63.11 112.507 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 7.2 p -126.37 153.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 75.45 111.121 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.3 mm -137.26 118.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 73.33 111.15 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -121.13 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 63.44 110.878 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -58.84 -47.27 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.924 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -53.45 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 74.01 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.91 -30.22 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 111.075 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.86 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 52.42 111.117 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 33.0 t -53.68 -43.49 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.133 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.32 -58.73 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 75.31 110.93 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -65.63 -33.65 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 63.54 111.098 179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.28 -30.52 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.99 -46.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -74.11 -24.57 59.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.069 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.8 27.07 7.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 52.22 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -84.23 155.33 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.351 . . . . 73.23 110.908 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -87.62 100.01 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.41 110.921 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 20.7 t -91.52 143.24 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.33 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 98.3 t -149.64 105.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 75.13 111.137 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptt? -110.23 -178.37 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.04 110.882 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 t0 51.18 32.67 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.9 mmt180 -152.41 141.29 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.879 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 31.6 p -127.6 143.98 49.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 74.43 110.857 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.13 30.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 75.52 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.07 95.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.154 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 62.4 mt -98.51 -22.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.159 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -72.16 -47.23 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.897 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.542 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.6 tp -51.1 -56.79 17.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.64 0.733 . . . . 64.43 110.912 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.78 -4.36 13.88 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.678 2.252 . . . . 72.41 112.378 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.27 -35.8 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.43 110.838 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.9 mt -114.2 -30.95 6.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.95 -22.92 19.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 73.5 112.518 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.18 24.95 12.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 74.45 110.895 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.52 -178.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 74.43 111.128 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.904 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.816 0.341 . . . . 74.51 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -116.62 158.75 23.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -127.47 65.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 71.3 110.876 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -57.39 -61.23 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.7 p30 -130.26 -178.33 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 71.24 110.818 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 pt -53.09 -27.59 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 74.53 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.92 -36.9 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 75.13 111.086 179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.71 -34.42 43.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 54.32 112.489 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.1 mp -75.65 -30.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 70.34 111.141 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.27 -27.18 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.903 179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -88.11 -21.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.116 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 t -84.74 -66.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 64.13 110.835 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -127.56 144.57 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.138 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -116.47 103.97 10.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 74.34 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.1 m -139.52 135.39 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.2 mp -128.04 129.14 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.101 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.64 139.69 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 65.11 111.107 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.97 135.42 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 73.4 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 95.8 t -103.58 127.7 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 64.23 111.094 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.08 60.91 3.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 43.44 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 117.36 28.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 75.23 111.097 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 p -126.77 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 61.01 110.894 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.96 43.34 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 71.42 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -109.71 83.59 2.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.698 . . . . 74.03 110.894 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.21 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 72.43 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -97.6 25.68 5.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 55.33 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -130.49 160.17 67.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 75.42 110.909 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -15.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 71.21 112.341 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -27.68 53.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 74.4 110.872 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -87.63 -45.41 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 74.11 110.912 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 -53.25 -32.64 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 75.1 110.883 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 93.6 t -77.23 -36.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 72.41 111.104 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 2.2 ttt -57.57 -59.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.868 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -66.63 -23.99 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.23 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.61 -51.46 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.935 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 95.4 mt -70.02 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.515 . . . . 74.24 110.884 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 13.5 mt -67.72 -46.71 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 73.44 110.896 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.12 -41.99 80.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 75.13 110.861 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -56.86 -25.42 56.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.941 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 50.93 1.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 75.42 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -124.91 -176.18 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 74.33 110.927 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -106.87 112.7 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.857 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 44.9 t -107.73 130.62 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 75.2 111.09 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.6 mt -127.14 76.51 76.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 72.41 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 139.62 40.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 74.22 112.319 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -132.02 122.18 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 74.3 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.74 151.5 42.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 71.53 110.838 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.85 24.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.34 112.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -106.28 -33.83 7.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.0 p -76.67 -10.43 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 72.24 111.148 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.35 104.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 73.45 111.082 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.4 25.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 71.52 112.511 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -136.41 169.83 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 65.31 110.952 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.71 114.71 25.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.25 111.154 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 14.9 tp -106.4 112.0 24.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 75.11 110.925 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.8 mp 58.48 22.73 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 75.3 110.892 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.55 -5.57 70.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 73.21 112.514 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -94.71 128.68 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 71.23 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -58.3 141.13 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 70.53 110.893 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -94.46 153.44 21.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -144.49 133.95 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 75.03 110.927 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.46 -33.22 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 64.52 111.096 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.6 p -149.21 146.09 27.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.165 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -32.05 68.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 74.2 110.914 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -74.8 -4.66 38.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 72.03 111.085 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.34 -5.82 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 22.2 t -89.16 132.39 37.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.721 . . . . 75.41 111.106 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.65 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 71.22 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -77.68 155.34 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.22 110.9 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -103.09 128.62 49.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 74.45 110.939 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -74.37 137.46 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.23 111.141 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -93.1 -31.07 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -137.3 112.17 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 60.11 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.2 t -87.63 129.86 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.4 111.158 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.52 112.43 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.3 t -109.25 105.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.091 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 24.1 m-85 -125.87 -0.81 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 75.03 110.9 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -52.0 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 74.44 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -153.48 177.39 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.845 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 p -71.12 -54.87 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 71.13 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.94 -26.73 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -56.64 -24.72 50.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 71.45 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -38.83 56.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.23 111.111 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -69.92 -53.49 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.07 82.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 71.21 112.461 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 91.1 t -78.86 -28.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 62.33 111.144 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -66.28 -51.5 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 73.02 111.112 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -57.4 -42.57 82.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.883 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.98 -47.01 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 52.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -65.21 -42.7 93.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 64.13 111.093 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 37.4 mt -69.41 -30.38 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 73.43 111.165 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.98 78.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.101 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 50.9 pt -77.45 -24.68 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 72.21 111.133 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.63 63.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 62.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -79.51 179.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 72.32 111.121 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -128.64 -39.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.925 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.61 157.8 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 53.1 111.164 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.1 tp -138.88 126.12 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -125.14 135.11 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.33 110.922 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 63.0 mt -108.95 -174.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.914 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -81.24 149.89 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 120.39 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.44 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.41 28.05 7.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.517 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.28 149.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 65.03 111.16 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.79 101.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.5 t-20 -120.6 88.66 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.891 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -51.53 -47.96 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.873 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.27 -46.62 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.912 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.37 -28.02 69.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.06 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.57 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 21.5 t -77.07 -40.89 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.168 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 28.4 tp -53.18 -47.86 68.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.877 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -71.26 -30.68 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.135 179.775 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -71.62 -30.15 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.855 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.23 -35.0 77.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.868 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.7 -24.14 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 73.32 111.105 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.33 -13.14 30.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 72.25 112.492 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.3 tp -51.74 149.51 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 73.02 110.882 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 99.89 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.65 133.08 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 74.41 111.117 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 46.0 t -133.93 110.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 75.11 111.095 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -111.27 177.35 4.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 75.51 110.876 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.3 t0 57.16 29.92 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -151.96 154.18 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.0 t -155.65 129.03 4.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 71.43 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 72.24 112.352 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.5 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.085 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.34 -20.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 72.35 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -70.04 -48.13 59.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.899 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.537 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.6 tp -51.1 -56.8 17.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.606 0.717 . . . . 73.51 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.78 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 2.24 . . . . 73.54 112.337 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.9 -36.24 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.925 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mt -114.01 -30.84 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.65 -23.34 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 73.53 112.503 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.03 25.25 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 72.22 110.905 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -53.47 174.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.34 111.132 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.44 110.89 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.82 0.343 . . . . 74.11 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -133.99 81.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.41 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -138.65 171.99 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.66 55.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.22 159.95 29.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 54.5 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt -52.72 -27.46 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 75.45 111.149 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.109 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.35 -35.16 43.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 65.01 112.496 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.39 -30.11 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.42 111.134 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.51 -25.98 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 63.31 110.955 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.0 t -89.51 -19.76 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.157 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 t -86.35 -67.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 m -128.56 139.8 52.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 73.11 111.184 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.848 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 58.5 m -141.16 122.45 14.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 63.55 111.145 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -115.5 137.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.119 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.25 124.87 37.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 73.54 111.119 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 tt -95.77 135.43 37.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 73.24 110.894 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 94.4 t -95.76 130.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 73.52 111.143 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 58.71 10.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 71.53 112.46 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.58 105.61 17.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 73.45 111.095 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t -112.53 -169.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.858 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.45 46.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 72.03 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -109.74 83.87 2.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 75.55 110.88 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.24 18.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.69 2.26 . . . . 74.52 112.336 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.91 22.69 8.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 72.2 110.877 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -130.3 160.42 65.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 74.33 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.99 35.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 50.52 112.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.03 -25.65 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 61.33 110.851 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -88.76 -46.11 9.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 75.34 110.958 -179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -53.71 -35.27 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 75.43 110.909 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 26.7 m -77.11 -28.7 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 65.54 111.105 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.4 ttp -66.0 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -61.0 -24.03 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -50.51 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.936 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 91.4 mt -69.75 -29.51 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 74.03 110.934 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 12.6 mt -66.32 -46.75 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.72 -41.51 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 51.44 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -56.57 -24.81 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 70.53 110.936 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.63 3.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.475 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -116.12 154.64 29.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 75.03 110.902 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.53 117.09 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 74.1 110.867 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 95.6 t -110.07 132.49 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 72.53 111.1 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.21 79.74 72.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.73 . . . . 74.1 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.78 3.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 75.22 112.41 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -105.71 122.09 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 70.34 111.14 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.85 151.96 43.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.736 0.779 . . . . 71.42 110.833 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 61.43 112.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.41 -27.87 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 73.41 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.1 m -86.91 8.35 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.104 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.72 83.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.135 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 5.3 6.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 72.53 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -123.19 177.48 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 104.31 8.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.086 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.34 118.11 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.9 mp 58.77 22.22 9.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 73.02 110.912 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.09 69.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.439 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -94.91 129.18 42.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 74.41 110.936 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -62.03 130.16 44.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 64.42 110.925 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.56 167.6 35.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 75.33 112.525 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -152.93 137.65 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 72.54 110.902 -179.766 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -59.18 -25.91 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.09 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 t -170.19 156.77 6.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.43 111.166 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.0 pp -64.47 -15.47 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 74.23 110.891 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.86 14.2 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.02 111.126 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.72 -21.19 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.853 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -91.66 132.98 31.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 75.1 111.128 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -42.31 3.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 75.42 112.381 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.89 146.13 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 63.54 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -100.42 126.06 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.21 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -82.13 140.64 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 73.14 111.177 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.8 -26.85 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.896 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 7.8 tpt -134.79 132.21 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.855 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.8 111.85 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.118 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -93.38 124.35 37.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.869 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.3 t -117.71 102.66 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 74.52 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -120.09 -1.27 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.902 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 75.13 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -156.07 177.97 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.2 t -75.08 -54.51 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.12 -28.01 69.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.42 -24.95 64.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 71.22 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.26 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 63.42 111.11 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 58.0 t-105 -72.15 -54.59 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.89 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.67 -36.65 86.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 61.34 112.532 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 20.8 t -75.27 -34.87 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 54.52 111.12 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.23 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.11 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.94 -45.28 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.73 -44.68 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 73.24 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.59 85.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 73.53 111.058 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 45.6 mt -69.65 -37.99 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.12 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.26 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 60.34 111.117 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 37.4 pt -73.7 -29.32 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 75.04 111.077 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.42 57.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 65.42 112.497 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.22 -170.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.41 111.093 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -123.11 -35.25 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 m -150.84 158.27 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.11 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.9 tp -140.97 134.13 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.21 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 5.0 t-105 -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.911 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.8 mt -121.6 -173.7 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 74.22 110.901 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -79.17 157.89 27.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.895 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.26 133.21 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 72.43 110.955 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.53 -14.9 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 64.35 112.465 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 8.7 p -90.61 148.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 64.42 111.134 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.34 107.61 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.131 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 18.2 t-20 -115.93 91.0 3.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 75.23 110.879 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 46.1 tt0 -51.62 -37.68 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.922 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -52.75 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.32 110.927 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.47 -27.1 46.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.43 111.126 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.44 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.066 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.8 t -66.27 -43.63 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.16 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.63 -52.31 48.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.01 110.917 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.51 -29.14 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.095 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -33.61 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.35 110.923 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.854 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -78.28 -24.23 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 71.41 111.075 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.2 12.13 49.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 62.52 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.38 159.66 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 74.11 110.86 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.1 t -92.26 96.86 10.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.824 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -97.0 122.6 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.13 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.3 t -124.58 105.78 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 73.24 111.111 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -109.6 -177.93 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 73.22 110.921 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 51.91 36.25 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 64.44 110.878 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.0 mtt180 -146.81 138.46 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.905 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 7.0 p -117.24 117.98 36.17 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.32 110.945 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -17.54 37.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 63.43 112.35 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mm -98.76 -18.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 75.02 111.205 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -75.42 -32.7 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.929 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.529 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.3 tp -64.49 -57.32 17.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.634 0.731 . . . . 72.13 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.529 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.7 Cg_endo -69.71 -6.7 19.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 74.23 112.36 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.86 -29.77 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.85 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.47 -30.16 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 74.21 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.33 38.98 3.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 63.33 112.508 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.3 mp -116.08 -32.56 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 75.13 110.925 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -57.28 161.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 73.23 111.122 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.914 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.846 0.355 . . . . 71.53 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.9 139.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.903 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -111.92 71.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 71.14 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -139.52 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -108.54 -19.89 13.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 pt -52.03 -27.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 73.4 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.0 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 74.14 111.078 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.95 -32.42 49.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 74.2 112.498 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -75.91 -35.07 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 74.41 111.165 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -80.51 -30.05 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 72.02 110.921 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -83.42 -24.49 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.52 111.142 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.0 t -82.1 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.824 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -128.26 141.92 51.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 74.03 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.63 104.33 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.4 m -139.17 128.86 24.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.159 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -116.95 131.8 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 64.53 111.112 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.31 141.52 51.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.32 111.138 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.1 tp -114.55 134.6 54.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.899 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.9 t -103.58 132.28 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 73.5 111.127 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 49.36 45.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.486 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.13 143.37 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 41.14 111.074 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -176.63 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 52.44 110.884 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -92.15 43.23 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -107.67 91.71 7.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.531 0.681 . . . . 75.23 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.42 21.01 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 65.31 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -100.25 23.57 9.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.847 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -120.72 156.9 55.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 75.44 110.891 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.414 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.2 Cg_endo -69.7 -23.94 30.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.13 112.395 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -77.21 -19.41 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -85.97 -48.95 8.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 72.53 110.922 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 1.6 ptp85 -53.2 -36.89 61.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 48.7 t -76.6 -33.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 54.21 111.126 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -64.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.873 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.39 64.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 65.51 110.845 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.7 -45.74 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.4 mt -72.62 -31.33 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 71.41 110.94 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.06 -46.65 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.943 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.4 -33.91 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 74.32 110.874 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.1 -25.34 66.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 70.43 110.91 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 47.85 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.489 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -121.25 -176.7 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 74.21 110.948 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -108.35 110.39 21.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.858 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.5 t -104.37 131.83 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 72.23 111.129 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -128.47 77.84 76.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 74.34 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 135.85 31.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 74.24 112.361 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.87 122.02 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 151.71 42.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 73.4 110.858 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 75.54 112.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -106.39 -32.79 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.12 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.73 -4.0 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.78 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.086 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.67 17.45 10.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 70.04 112.462 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -136.87 163.72 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 75.1 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.57 108.94 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 74.21 111.127 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 135.52 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 75.34 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt 59.23 20.39 8.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 74.11 110.863 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.22 3.75 84.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.14 112.439 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -104.56 135.55 45.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 73.22 110.918 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 21.6 tp60 -73.82 140.86 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.921 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.3 153.33 20.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 75.53 112.461 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -139.86 138.16 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 73.31 110.971 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -66.44 -31.75 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 61.15 111.081 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.4 p -147.95 150.63 34.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 75.1 111.162 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.2 pp -67.55 -15.11 63.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 75.11 110.919 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.58 11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.114 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -22.71 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -77.49 133.24 67.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 70.11 111.157 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -42.11 3.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 73.13 112.367 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -68.09 118.78 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 137.58 47.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 75.33 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.5 t -88.45 144.94 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.168 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -112.17 -24.74 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.85 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -141.81 111.92 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 71.13 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.99 121.7 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.101 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -107.06 130.38 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 64.22 110.901 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 t -109.36 117.0 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 74.53 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -115.36 -20.46 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.846 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -51.53 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.857 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -168.06 177.18 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 74.35 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p -74.9 -46.63 34.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 70.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.5 -31.71 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 74.41 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -69.72 -27.92 65.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.52 111.09 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.85 -38.88 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -66.78 -54.44 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.913 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.34 -40.24 93.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.733 . . . . 72.14 112.433 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 60.8 t -73.62 -37.47 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 72.15 111.121 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.73 -55.85 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.156 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.16 -42.47 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.891 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -45.88 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 64.2 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.01 -50.14 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 61.45 111.127 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.21 -26.09 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 63.13 111.113 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.41 -48.53 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 71.54 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.7 pt -74.48 -25.54 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.54 111.161 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.78 51.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.21 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.76 -178.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 74.14 111.085 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -135.59 -41.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 72.51 110.898 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.92 158.18 44.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 tp -140.37 129.71 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -127.69 129.33 46.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 75.1 110.972 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 47.2 mt -105.53 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 73.04 110.917 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.3 149.6 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 75.32 110.859 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.1 tp -56.78 141.86 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.93 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.3 26.25 70.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.12 112.496 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -122.38 130.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 73.12 111.143 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -136.48 107.52 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -117.08 89.68 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 74.55 110.882 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -53.23 -28.71 28.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -49.48 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 75.32 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.58 -25.4 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 55.25 111.108 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -72.53 -52.07 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 75.22 111.087 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.53 -33.07 55.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 73.32 111.15 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.8 tp -54.62 -28.18 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.889 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.39 -39.9 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 53.43 111.14 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -53.96 -39.17 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.22 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -53.58 -29.26 36.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 72.12 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.03 -24.12 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 64.51 111.081 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.98 -8.4 36.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 34.53 112.474 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.8 151.08 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 74.25 110.896 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -90.22 100.05 12.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 12.3 p -91.72 132.1 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 73.25 111.128 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 38.7 t -139.0 108.46 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 70.12 111.112 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -111.53 172.88 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.31 110.871 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 62.22 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 23.6 mmt180 -147.91 137.46 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.827 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -126.07 136.16 28.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 54.34 110.886 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -22.64 32.15 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 75.34 112.366 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.57 88.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 72.51 111.108 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 32.6 mt -98.75 -19.09 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -73.39 -29.1 62.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.869 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.532 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -68.78 -57.66 7.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 75.41 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.532 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.7 -6.98 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 74.3 112.385 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -51.65 -29.85 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.31 110.876 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 2.3 mp -96.2 -30.44 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.888 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 45.24 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 54.24 112.469 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.1 mp -116.21 -25.41 7.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 74.14 110.954 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.92 138.29 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 61.42 111.073 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.856 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.347 . . . . 73.32 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -106.24 97.26 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 73.42 110.911 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -71.89 83.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -92.84 170.56 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 74.02 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -90.41 -169.95 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 64.42 110.914 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 pt -53.21 -27.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.158 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.78 -36.25 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 74.14 111.14 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.36 -34.69 44.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 55.01 112.479 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.85 -30.05 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 74.13 111.132 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -26.21 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.918 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.3 t -89.28 -20.9 23.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 75.5 111.118 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -84.48 -67.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 75.25 110.873 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -128.47 144.69 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.183 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -114.05 103.58 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.33 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.7 m -139.88 143.54 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 74.52 111.15 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.49 132.86 67.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 74.22 111.135 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.66 136.72 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.14 179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 tp -117.64 134.48 54.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 75.45 110.906 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 33.0 t -107.64 120.63 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.123 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.72 66.18 1.47 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.499 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.21 88.06 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 75.42 111.074 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 m -98.53 -169.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.876 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -92.72 43.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 74.24 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -109.78 83.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 73.33 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.26 18.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 72.22 112.377 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -97.91 24.81 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.836 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -128.88 160.1 65.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 72.03 110.872 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.52 37.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 75.24 112.337 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -26.74 55.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.895 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.62 -47.96 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 75.3 110.953 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -53.66 -33.76 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 12.2 p -77.24 -32.22 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 72.34 111.134 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.0 ttp -62.71 -62.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 63.42 110.895 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -25.94 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 73.52 110.861 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.85 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.943 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 93.0 mt -67.17 -41.22 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 75.0 110.952 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.63 -46.75 84.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 74.44 110.948 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.23 -55.08 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.895 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -25.15 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.907 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 69.04 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 75.51 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.92 165.02 28.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 75.14 110.927 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -91.54 115.47 28.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.893 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -112.31 138.04 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.151 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.8 mt -130.75 75.75 78.3 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 73.31 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 137.9 36.81 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 73.31 112.394 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -133.43 122.4 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 71.21 111.151 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 152.31 45.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 73.34 110.85 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.6 24.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 75.01 112.359 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -33.29 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -79.94 -5.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 73.31 111.168 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.41 100.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 74.14 111.127 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.9 19.66 16.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 65.31 112.475 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -130.73 177.72 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 73.41 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.6 123.68 40.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 74.15 111.19 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.49 108.83 17.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 74.52 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp 59.0 21.84 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 73.42 110.934 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.33 1.35 56.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 63.53 112.525 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -97.08 135.66 38.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 75.14 110.888 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -73.28 119.08 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.43 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.37 163.35 52.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.54 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -154.71 136.53 14.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 74.52 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.17 -26.17 66.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 72.21 111.137 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 t -162.44 153.39 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.179 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.7 -15.41 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 72.3 110.879 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 12.4 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 63.52 111.097 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -113.64 -19.92 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.881 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.3 p -84.55 133.24 44.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.13 111.173 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -42.07 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.236 . . . . 72.55 112.387 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -65.07 143.8 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -101.71 127.14 48.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 75.21 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.3 p -80.17 144.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.146 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -30.2 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttp -139.72 118.76 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 73.44 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 87.9 t -100.4 123.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 62.24 111.104 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -106.0 141.06 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.867 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.3 t -122.06 116.61 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -119.69 -9.81 9.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 72.45 110.858 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -51.66 -64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 73.4 110.852 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -176.17 176.84 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 p -66.92 -55.76 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 64.44 110.855 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -57.05 -27.8 62.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.854 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -70.56 -34.56 72.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.081 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.4 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 74.4 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -68.49 -53.45 23.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.5 110.93 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.97 -33.01 84.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 64.32 112.515 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 86.0 t -79.36 -36.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 71.24 111.144 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -61.97 -49.17 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 72.54 111.107 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.89 -43.36 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.878 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.76 -47.34 83.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -59.19 -50.23 74.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.11 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.71 -28.02 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 75.34 111.083 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.78 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.1 111.066 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 48.8 pt -72.47 -25.54 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.157 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.89 52.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 71.11 112.447 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.27 -176.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 72.23 111.089 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -134.51 -41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.867 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 158.23 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 74.24 111.144 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 7.3 tp -139.91 134.08 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 75.43 110.943 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -130.92 138.09 49.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.924 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 29.6 mt -115.48 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 71.2 110.887 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -83.93 145.17 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 75.12 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tp -70.61 132.53 45.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.934 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.39 -20.21 50.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 65.23 112.465 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.13 146.55 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 75.43 111.118 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.1 mt -131.86 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 73.02 111.143 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.59 95.66 4.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.05 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 72.44 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -67.91 -49.04 64.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.33 -25.32 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 65.32 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.51 -52.14 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 65.53 111.111 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.41 -32.88 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.115 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 22.0 tp -54.66 -27.81 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 71.44 110.923 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.4 -35.09 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 73.33 111.04 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.78 80.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 72.34 110.85 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.74 -26.66 46.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.12 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 75.21 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.7 -11.72 32.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.523 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.62 150.42 3.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 75.34 110.88 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -88.21 99.88 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 72.14 110.866 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.3 p -92.7 133.53 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.108 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 35.6 t -139.11 105.87 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.125 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -108.48 -178.21 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.21 110.899 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.2 t0 52.07 35.37 16.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.874 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -151.63 135.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.922 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.7 t -132.93 129.01 20.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 72.53 110.884 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -14.56 36.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.286 . . . . 64.44 112.331 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.93 91.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 75.42 111.11 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mt -98.24 -20.44 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 63.52 111.157 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 45.9 tt0 -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.22 110.871 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.5 tp -51.56 -57.16 15.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 74.41 110.917 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.76 -4.54 14.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 74.14 112.342 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -79.89 -35.89 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 73.44 110.883 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.78 -30.75 6.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.878 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -96.02 -23.09 18.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 74.41 112.462 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.77 25.53 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 72.32 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.68 168.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 73.45 111.121 179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.875 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mtt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 64.31 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.76 161.21 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.845 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -154.67 177.71 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -169.27 179.05 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 71.41 110.877 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -92.06 -25.07 18.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.823 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.1 pt -53.41 -27.47 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 75.34 111.128 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.87 -35.47 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 63.25 111.116 179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.46 -31.53 54.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.497 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.1 mp -75.82 -30.29 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 73.25 111.157 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.26 -28.06 25.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.933 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.9 t -86.42 -22.32 26.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.139 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -88.7 -68.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.43 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -128.34 113.76 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 75.43 111.111 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -92.33 104.27 16.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 73.34 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -139.25 143.42 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 74.33 111.139 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -128.73 138.4 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.171 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.66 119.5 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 73.2 111.108 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 130.4 36.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.73 126.7 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.97 30.4 38.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.756 . . . . 70.53 112.488 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 108.27 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 71.05 111.064 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -118.34 -169.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.847 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.18 43.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.877 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -109.85 83.5 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 74.01 110.885 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 71.41 112.361 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -100.04 24.06 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.843 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 160.08 61.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 73.52 110.882 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 -16.15 37.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 75.53 112.345 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.23 -26.27 52.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 72.1 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.48 -46.15 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.958 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 6.1 ptp180 -53.35 -32.57 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.875 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.7 t -77.0 -39.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 74.11 111.08 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.0 ttm -55.33 -60.75 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 72.24 110.921 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -64.37 -22.4 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 74.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.21 -47.21 58.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 74.4 mt -70.49 -30.03 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 75.23 110.889 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.0 mt -67.67 -46.8 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.25 110.893 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -32.42 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.904 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -63.77 -25.32 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.907 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 32.69 3.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.445 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -110.2 167.62 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.954 0.407 . . . . 73.12 110.902 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -99.6 88.88 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 71.5 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 10.6 m -74.71 145.26 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.127 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -136.32 78.56 44.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 73.34 111.132 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.9 31.68 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 75.41 112.316 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.94 122.26 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.31 111.124 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.37 152.0 45.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.25 110.858 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -8.68 24.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 71.03 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -105.43 -34.44 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.1 p -77.54 -9.79 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.146 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -55.21 100.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 72.14 111.129 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 17.95 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 72.45 112.502 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.91 177.31 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 75.34 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 108.24 14.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 64.25 111.113 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 tp -104.69 122.86 46.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 70.02 110.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.8 mt 58.26 24.22 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.17 -3.22 85.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 70.12 112.496 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -98.48 155.81 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 73.23 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -76.97 140.24 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -92.16 156.47 23.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.44 112.495 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -145.76 135.79 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.888 0.375 . . . . 74.15 110.945 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.05 -25.93 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 72.34 111.082 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 t -169.52 152.77 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.04 -21.47 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 74.32 110.875 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -17.19 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 71.41 111.094 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.65 -31.62 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.852 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 90.4 t -50.02 108.33 0.98 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 74.1 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -45.24 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 65.43 112.375 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -69.86 123.58 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -69.09 119.12 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 74.14 110.855 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.5 p -75.5 144.58 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.104 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.21 -24.95 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.886 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 23.5 ttp -147.65 126.68 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.882 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.17 118.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.6 119.75 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 74.3 110.844 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.82 114.1 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 50.0 m-85 -131.76 7.4 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.854 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 45.1 mtm180 -56.08 -74.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.907 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -152.07 179.99 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 73.41 110.84 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 t -74.96 -54.34 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.863 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.8 -27.36 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 72.25 111.037 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.4 64.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 73.31 111.11 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -65.97 -53.73 35.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 62.15 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.97 -38.96 66.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 44.33 112.485 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.37 -35.66 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 73.01 111.113 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -56.25 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 64.42 111.136 179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -52.76 -43.31 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 74.44 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -62.44 -40.07 95.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.93 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.93 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 7.6 mt -74.8 -24.24 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.129 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.41 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.3 111.107 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -71.56 -31.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 73.03 111.133 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.45 51.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 74.43 112.445 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.97 -174.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 70.23 111.14 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -126.9 -38.26 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 75.24 110.916 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.26 158.34 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.43 126.11 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -124.27 130.42 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.24 110.915 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 36.7 mt -109.42 -170.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 72.44 110.926 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -81.41 148.24 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.7 tp -74.62 131.98 41.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 61.54 110.929 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.71 -18.02 41.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.481 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.45 136.04 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.14 111.137 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -127.09 111.18 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 72.13 111.126 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 6.6 t-20 -112.65 87.55 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.846 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.72 -43.73 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 72.41 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.9 -24.42 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.084 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.76 -52.15 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 52.53 111.105 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.62 -33.03 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 74.34 111.143 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.1 tp -55.2 -27.65 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 74.32 110.919 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.43 -42.27 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 74.53 111.089 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -54.98 -33.59 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 75.44 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -56.24 -25.72 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.88 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.36 -24.09 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.096 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.34 -13.78 25.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 63.3 112.504 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.2 tp -51.87 149.78 4.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 64.11 110.889 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -90.61 98.76 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.8 p -91.7 123.69 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 73.43 111.137 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.62 105.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 74.42 111.128 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -110.72 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.889 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t0 52.1 36.81 19.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.873 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.4 mtt-85 -150.36 134.26 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.9 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 14.0 t -129.4 129.29 23.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 75.13 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.87 37.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 63.14 112.357 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.43 96.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.072 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.5 mt -98.18 -20.08 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.51 111.115 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -19.19 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 62.51 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.521 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -68.65 -57.61 8.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 75.23 110.905 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.521 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.71 -7.28 20.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.734 2.289 . . . . 73.13 112.355 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -51.94 -29.79 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 75.44 110.86 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mt -106.16 -30.37 9.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.42 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.2 50.67 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 75.21 112.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.99 -26.45 9.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 74.54 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.67 144.71 10.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.43 111.099 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.854 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.34 . . . . 63.05 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -115.78 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 73.32 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -82.15 -56.97 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -63.61 178.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 63.4 110.9 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 59.74 63.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.84 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 pt -52.24 -27.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.112 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.27 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 70.02 111.106 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.79 -33.76 45.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.1 112.49 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.32 -30.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 75.35 111.137 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 -27.46 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 65.44 110.934 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.6 t -87.03 -20.95 26.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 70.03 111.142 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.1 t -85.72 -66.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.828 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -128.31 137.63 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.145 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.3 103.53 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 72.52 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 73.1 m -139.69 126.98 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.4 111.14 -179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mp -117.46 139.72 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.42 111.153 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.43 131.52 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 51.04 111.066 179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 15.5 tp -102.39 135.19 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 72.42 110.92 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 88.6 t -110.43 133.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.112 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.78 45.72 26.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 64.43 112.486 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 108.08 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 52.14 111.094 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m -120.3 -171.26 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.875 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -99.23 46.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 75.1 110.852 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' O ' ' CD ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -111.78 78.16 2.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 75.22 110.867 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 1.49 4.36 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 73.02 112.365 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.08 11.36 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.839 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.24 162.0 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 72.2 110.912 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -10.92 29.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.53 112.383 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -27.32 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 63.21 110.855 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -87.76 -45.98 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.958 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.2 ptp180 -53.31 -34.11 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 73.33 110.828 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 98.9 t -77.42 -37.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.129 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -62.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.883 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -23.15 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.46 -49.9 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 78.3 mt -65.51 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 75.35 110.931 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -65.21 -43.5 91.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 70.43 110.916 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.01 -46.16 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -56.82 -25.43 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 73.11 110.933 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 26.64 5.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 74.13 112.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -98.96 -176.25 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 74.11 110.909 -179.803 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.46 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.849 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.4 t -113.51 124.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 74.43 111.154 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.97 78.0 12.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 62.22 111.088 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 124.12 10.77 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 70.2 112.362 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.8 t -123.16 122.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 65.25 111.128 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.39 151.94 44.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 75.02 110.858 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -9.8 26.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 74.12 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -106.41 -32.75 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 72.34 110.87 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.55 -8.24 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.31 111.138 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.63 101.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 62.44 111.127 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.62 18.81 14.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 71.41 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -135.03 177.65 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 74.24 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.79 110.96 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.15 111.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 113.02 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.0 mt 58.77 21.93 9.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.931 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.08 -4.08 62.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 71.52 112.537 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -94.66 143.42 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 74.24 110.941 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.52 128.79 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 72.33 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.01 153.19 30.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -145.14 136.31 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 75.42 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.94 -33.51 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.058 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -149.09 154.31 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 61.41 111.154 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 4.4 pp -68.02 -15.32 63.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 65.14 110.951 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.78 7.5 30.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 73.32 111.094 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.27 -20.39 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.852 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.5 t -66.16 133.09 94.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 73.13 111.136 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -42.67 3.21 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.262 . . . . 73.22 112.38 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.31 148.83 24.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.89 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -91.91 128.82 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 9.8 p -74.13 144.34 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 72.11 111.11 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.19 -27.89 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.876 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 40.5 ttm -150.99 125.13 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.1 110.853 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 43.2 t -104.84 123.4 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 74.13 111.147 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.93 142.9 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 72.41 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.98 118.02 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 75.33 111.12 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -116.5 -18.11 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.924 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -51.21 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.92 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -169.74 -177.14 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 70.13 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -68.43 -52.27 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 55.01 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.47 -32.58 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.871 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.07 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 71.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.68 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 73.54 111.076 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -66.98 -54.19 24.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 75.25 110.917 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.47 -34.69 49.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.42 112.505 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.0 -33.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 74.41 111.118 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.66 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 71.34 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.05 -44.12 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -59.55 -40.61 87.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 74.53 110.925 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.73 -44.21 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 74.15 111.097 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 38.8 mt -62.93 -26.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.1 -48.75 16.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.42 111.075 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 28.5 pt -71.02 -31.06 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.51 111.152 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 62.51 112.485 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.61 -177.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 64.22 111.053 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -133.24 -40.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.44 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -134.06 158.52 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 72.2 111.125 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.1 117.32 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 72.22 110.917 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -114.15 132.62 56.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.908 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 62.2 mt -106.72 -174.45 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 73.24 110.933 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.58 143.66 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.2 110.953 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.84 139.33 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 75.4 110.89 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.29 16.04 68.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 72.11 112.505 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.42 107.74 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 64.13 111.14 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -115.11 126.62 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 73.12 111.14 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -111.94 96.63 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.05 110.899 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 56.4 tt0 -51.96 -37.1 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.11 110.896 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -50.26 19.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.72 -27.87 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 73.21 111.144 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -39.21 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.0 t -63.42 -46.65 94.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.33 111.077 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 mt -51.64 -56.16 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.895 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.21 -32.19 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 72.13 111.056 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -66.34 -34.41 77.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.863 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -47.09 84.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 73.04 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -79.9 -24.09 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.113 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.67 -2.17 42.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 70.54 112.466 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.4 tp -51.92 160.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 74.02 110.939 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.36 95.93 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.818 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.63 127.32 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 72.15 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.59 110.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 62.22 111.165 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -105.97 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 73.3 110.886 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 t70 51.78 38.57 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -152.64 140.61 20.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.23 110.897 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 149.95 74.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 54.11 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.1 22.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 74.1 112.314 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.84 70.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.81 -22.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.1 111.118 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -76.96 -27.68 54.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.531 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -65.86 -57.37 13.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 63.44 110.932 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.77 -6.75 19.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 72.44 112.363 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -51.96 -29.72 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 70.14 110.838 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.15 -27.24 19.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.92 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.69 33.36 6.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 45.14 112.502 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.81 -4.44 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 73.14 110.9 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.54 128.56 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 73.23 111.057 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 73.31 110.892 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 72.11 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -27.75 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.887 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -141.37 150.35 42.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 75.22 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -109.38 91.62 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 74.31 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 34.6 p-10 -153.24 -173.77 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.852 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 pt -53.15 -27.45 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 71.22 111.13 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.79 -36.49 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 111.065 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.46 -34.98 43.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.474 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.67 -29.83 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 74.31 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.33 -26.71 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 75.22 110.909 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 t -88.75 -21.38 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.173 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -84.05 -67.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 75.34 110.822 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.34 144.38 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 75.33 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 103.61 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.845 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.2 m -139.66 143.46 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 72.45 111.15 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -126.07 138.52 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.11 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 75.0 111.065 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 tp -121.61 135.45 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 70.34 110.972 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.73 117.15 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 74.21 111.092 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.41 70.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 73.2 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.87 99.72 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 71.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m -113.86 -172.11 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 71.34 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.15 41.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.843 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -113.82 87.79 13.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 64.31 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.08 20.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 72.53 112.357 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.06 9.05 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 73.11 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.48 154.95 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 74.25 110.858 -179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -19.57 36.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 74.24 112.322 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -22.01 53.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 71.22 110.811 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -87.53 -48.97 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 75.35 110.898 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -32.2 49.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 94.2 t -77.07 -36.19 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.154 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 8.4 tpt -58.07 -58.58 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 72.4 110.909 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -67.54 -20.97 65.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 75.44 110.86 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.9 -49.13 21.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.97 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 35.1 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 75.25 110.872 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.05 -44.2 73.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 73.42 110.947 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.66 -45.41 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 64.3 110.856 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -56.49 -25.28 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.907 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.48 60.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 51.42 112.486 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.3 m-85 -141.79 159.51 42.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.378 . . . . 74.54 110.942 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.0 121.42 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 73.23 110.845 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 16.9 t -118.19 147.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 74.32 111.13 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.66 79.23 59.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 71.05 111.141 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.29 40.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 61.43 112.34 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.42 122.26 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 73.04 111.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.37 152.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.749 . . . . 53.33 110.812 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -11.71 31.36 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.676 2.251 . . . . 74.45 112.392 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -106.32 -32.07 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.853 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 5.7 p -77.95 -5.26 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.072 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.56 96.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 64.23 111.116 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 9.41 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.473 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.68 154.3 43.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 64.2 110.862 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.13 110.79 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.13 111.177 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -89.25 112.37 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.911 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.6 mt 62.45 24.33 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 74.02 110.906 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.02 66.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 73.43 112.51 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -95.47 125.58 40.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 72.14 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -58.16 136.29 57.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.909 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.96 164.47 29.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 72.12 112.465 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -153.49 136.88 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 73.1 110.944 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.55 -35.75 77.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 74.31 111.094 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -150.01 149.39 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.138 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.26 -16.51 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 73.23 110.903 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.1 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 60.23 111.076 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.92 -37.62 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.895 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 41.3 t -50.64 108.63 1.07 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 73.33 111.135 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.7 -41.99 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 73.21 112.31 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.46 108.94 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -63.57 122.05 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.32 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.9 p -74.79 144.35 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.136 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.77 -25.36 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 75.4 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.4 ttm -141.45 113.88 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.885 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 59.9 t -95.66 109.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.137 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -88.05 133.44 33.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.848 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.7 113.01 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.03 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 49.2 m-85 -119.88 -9.22 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.852 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -51.61 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 65.33 110.827 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -165.49 173.98 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.89 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -63.08 -60.08 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.865 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.14 -28.23 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 73.43 110.88 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 74.45 111.11 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.78 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.42 111.057 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.59 -54.44 32.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 75.3 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.31 -43.79 97.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.455 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.6 -23.85 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 72.32 111.13 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.27 -57.98 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.1 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -51.84 -39.53 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.92 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -67.5 -44.35 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.23 110.842 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.096 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.66 -29.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.1 -49.09 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.053 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 39.8 pt -70.68 -24.95 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.103 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.11 54.53 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 74.33 112.493 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -63.41 -173.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 70.1 111.146 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -135.42 -41.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 158.35 43.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 18.7 tp -144.83 102.44 3.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 74.54 110.93 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -94.96 143.04 26.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.914 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 41.3 mt -119.63 -171.69 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.953 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.68 152.64 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.909 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.4 tp -77.3 138.57 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 75.41 110.97 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.06 -15.42 62.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 64.02 112.468 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.59 151.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 74.24 111.156 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.27 134.79 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.162 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -129.05 87.42 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 70.11 110.924 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -68.55 -47.42 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.43 110.873 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 -48.01 73.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.908 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.77 -27.95 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 65.04 111.091 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.28 -38.26 65.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 74.24 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 26.4 t -69.13 -50.03 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 73.31 111.097 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 20.1 tp -51.27 -32.03 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 74.54 110.948 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.82 -50.09 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 53.44 111.146 179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -53.04 -42.55 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 72.44 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -62.52 -25.21 67.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.54 -24.3 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.3 111.101 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.97 -15.72 10.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 62.33 112.487 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.2 157.99 7.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 73.33 110.899 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.5 t -113.11 94.8 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 71.32 110.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 85.0 t -94.05 143.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 74.15 111.139 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.8 t -136.23 120.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.19 170.9 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 75.34 110.907 179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.2 t70 63.67 33.56 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.2 mtm180 -156.14 135.08 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 73.34 110.897 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.91 129.13 15.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 74.11 110.873 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.53 36.2 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 72.24 112.341 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.75 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.095 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.7 mt -99.46 -18.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.45 111.151 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 17.9 tt0 -69.91 -33.08 71.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.895 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.515 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -68.17 -57.86 8.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 74.44 110.867 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.515 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.79 -7.71 21.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.629 2.219 . . . . 75.2 112.322 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -51.92 -30.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.06 -30.92 20.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 74.11 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.8 46.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 72.13 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -86.06 -25.18 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.332 . . . . 74.15 110.855 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -56.25 152.95 10.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 55.22 111.118 179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 45.9 mttm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.91 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 75.01 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -104.75 167.9 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.4 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.78 27.23 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.922 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -102.74 -26.23 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 60.11 110.869 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -100.34 166.5 10.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.842 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt -52.66 -27.55 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.144 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.98 -38.92 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.4 111.087 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.97 -32.93 47.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 70.22 112.452 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.4 mp -75.24 -31.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.31 111.146 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -85.31 -28.41 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 75.4 110.924 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.2 t -85.57 -21.99 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 73.24 111.131 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 t -84.36 -66.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 52.4 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -128.43 144.7 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -114.56 103.45 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.914 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.96 143.65 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 70.31 111.129 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mp -130.69 133.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.21 111.085 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -122.94 123.55 41.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.42 111.098 179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.9 tp -96.01 126.76 41.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 72.23 110.87 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 64.8 t -100.83 114.98 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 72.35 111.127 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.54 62.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 62.42 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.22 122.98 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 74.24 111.07 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -134.38 -176.86 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.884 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.19 44.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 75.53 110.819 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.96 83.46 2.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.529 0.68 . . . . 75.13 110.833 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 64.12 112.289 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.21 26.43 6.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -130.94 159.27 72.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 73.25 110.87 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -17.24 37.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 72.03 112.314 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -28.41 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 65.4 110.85 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -87.61 -44.02 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 73.04 110.899 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -31.72 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 96.8 t -77.25 -40.54 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 70.22 111.163 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 13.6 tpt -54.86 -61.28 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.98 -21.46 66.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 74.4 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.69 -46.74 44.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.877 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.6 mt -64.43 -43.72 93.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 73.02 110.9 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.73 -46.78 88.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 75.44 110.956 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.17 -54.38 36.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.872 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -56.66 -25.18 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 64.3 110.932 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 44.14 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.476 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -113.2 164.84 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 74.21 110.893 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.49 115.24 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 74.42 110.839 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -109.8 144.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.15 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.72 81.44 69.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 73.01 111.128 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.87 13.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 73.35 112.322 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.07 121.81 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 74.33 111.169 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.73 151.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 73.12 110.875 -179.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.92 33.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 71.33 112.39 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -106.58 -31.41 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 73.55 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.88 -8.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 72.11 111.107 179.876 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.85 102.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.15 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.31 17.97 18.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 43.24 112.542 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -126.24 172.29 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 73.14 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.9 113.93 15.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 71.55 111.138 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.57 117.78 31.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 74.41 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.8 mt 61.97 25.29 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.28 -0.91 84.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 62.04 112.461 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.2 mm-40 -96.32 138.88 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.55 110.89 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.88 143.12 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 74.34 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.96 164.26 28.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 72.11 112.517 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.0 m-85 -152.54 131.86 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 71.34 110.923 -179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.04 -29.97 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 71.21 111.104 179.871 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.1 p -148.57 148.68 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 73.3 111.183 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.892 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -77.0 -2.7 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.115 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -6.75 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 62.03 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.5 t -87.44 131.87 42.72 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 71.4 111.142 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -43.16 2.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 72.24 112.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.28 147.69 40.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 64.42 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -98.25 122.1 41.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 8.3 p -77.12 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 72.34 111.138 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -96.38 -23.86 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.869 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.6 ttp -146.39 119.74 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.862 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 77.7 t -103.57 138.22 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 73.22 111.132 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.821 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -131.87 101.43 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 74.3 111.105 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 46.8 m-85 -114.97 -5.13 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -51.86 -68.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.2 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -163.82 167.95 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 74.41 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.5 p -62.4 -58.19 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.59 -25.33 68.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.864 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.45 -24.66 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 75.04 111.082 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.86 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.24 111.113 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -66.66 -54.48 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.44 110.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.51 -34.24 74.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.734 . . . . 65.14 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.4 t -83.09 -21.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 75.11 111.122 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -74.08 -44.67 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -60.91 -43.44 98.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.32 110.939 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -67.47 -40.91 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.91 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.8 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.31 111.126 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 25.0 mt -69.78 -35.67 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 73.34 111.108 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.39 -47.06 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.082 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 47.3 pt -70.63 -24.69 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 75.34 111.162 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.84 59.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.483 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -75.39 -177.85 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 65.1 111.088 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -130.95 -41.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.916 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.94 158.18 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 71.1 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 tp -141.19 109.26 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 75.14 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.3 t-105 -105.58 139.87 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.868 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 57.0 mt -116.35 -173.78 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 73.31 110.89 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -82.97 163.94 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 74.04 110.921 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.904 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.66 19.1 28.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 75.01 112.54 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.4 p -122.93 147.94 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 72.41 111.104 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 38.9 mt -142.92 107.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.44 111.116 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.12 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -53.23 -39.74 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.895 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.28 94.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.873 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.85 -34.41 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 75.1 111.111 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.91 -33.38 74.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 71.33 111.073 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 22.3 t -77.49 -40.89 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.125 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 32.6 tp -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.24 110.928 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -75.89 -34.96 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 65.15 111.074 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.78 -41.04 83.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.53 110.898 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -54.1 -28.3 38.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 71.11 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.69 -24.23 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 61.02 111.066 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.58 -12.59 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 72.52 112.525 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 2.1 tp -51.55 145.64 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 74.25 110.894 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -87.26 99.54 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 74.01 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.5 p -91.66 132.96 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 73.04 111.102 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 23.4 t -134.43 111.33 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.52 111.158 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptp -110.09 176.61 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 73.12 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 t70 51.83 37.81 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -145.97 139.33 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.42 110.92 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 6.7 t -131.47 129.01 22.09 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 71.14 110.889 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.8 32.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.298 . . . . 73.01 112.304 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.91 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 72.42 111.111 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.69 -18.54 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 19.8 tt0 -73.11 -30.58 63.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.897 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -67.58 -57.65 9.83 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 64.12 110.876 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.76 -7.09 20.17 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 74.44 112.341 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -51.9 -29.75 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.87 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.1 mt -106.18 -30.69 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.74 23.05 6.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 73.3 112.535 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.78 -26.41 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 74.23 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.72 126.23 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 71.14 111.145 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.944 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.353 . . . . 75.23 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.97 120.07 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.53 110.93 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -111.2 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.91 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -65.58 -173.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 73.33 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.48 58.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.883 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.2 pt -51.28 -27.72 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 74.42 111.112 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.72 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 72.25 111.121 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -77.3 -32.28 48.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 50.41 112.501 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.8 mp -75.52 -36.59 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 74.4 111.124 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -78.74 -34.5 45.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 60.32 110.91 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.2 t -77.57 -27.65 51.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.158 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -79.26 -63.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 73.12 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.46 144.49 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 74.03 111.098 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -119.16 103.87 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 75.41 110.839 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.0 m -139.52 143.28 37.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.121 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.23 132.24 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 75.34 111.131 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -120.61 133.33 55.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.53 111.091 179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.8 tp -104.73 135.29 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 72.45 110.922 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 t -106.98 137.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 71.23 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.22 56.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 70.14 112.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.3 110.82 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 74.24 111.083 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t -123.49 -169.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.88 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.82 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.909 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -109.7 84.03 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 73.14 110.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 73.52 112.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.53 20.85 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.92 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -120.42 159.37 48.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 75.33 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -21.17 33.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 74.43 112.336 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -26.78 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 65.44 110.879 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.8 -46.11 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.95 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 26.5 ptt180 -53.57 -35.86 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.23 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.7 m -77.29 -30.03 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 63.24 111.136 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 7.0 ttm -61.4 -57.87 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.867 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -70.25 -23.26 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 75.13 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.37 -47.16 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 74.52 110.934 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.6 mt -68.34 -34.53 76.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.8 mt -67.35 -46.13 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.25 110.948 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -52.01 56.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.52 -24.94 49.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.911 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.09 59.02 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 75.35 112.509 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -121.23 176.92 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 72.33 110.906 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -100.33 107.25 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.7 t -106.38 134.17 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 75.14 111.132 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.3 mt -128.87 76.54 78.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.606 0.717 . . . . 72.21 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 130.67 19.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 72.43 112.341 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.71 122.04 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 72.32 111.174 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.47 152.4 45.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.701 0.763 . . . . 71.42 110.858 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.66 29.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 64.04 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -105.07 -33.83 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 75.13 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.51 -10.18 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 64.01 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -54.26 102.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 75.45 111.134 179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.9 16.46 19.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 64.34 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -134.56 171.3 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 74.34 110.864 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.71 112.82 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.01 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.43 115.53 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.1 mt 57.23 26.0 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 71.55 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.81 7.58 68.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 74.41 112.504 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -105.63 133.33 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -61.74 142.12 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 74.55 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.49 155.93 21.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 74.14 112.504 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -149.48 134.19 17.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 65.31 110.873 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.9 -30.36 69.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 72.23 111.111 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 t -162.91 152.45 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.51 111.176 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -62.21 -17.54 58.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 73.42 110.922 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.85 -15.98 63.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 60.11 111.113 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -37.89 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 108.35 0.99 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 74.21 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.77 4.89 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.699 2.266 . . . . 72.33 112.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.69 131.09 41.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 127.6 33.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.938 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.5 p -82.31 144.3 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 74.03 111.155 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -80.03 -43.7 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.872 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.8 ttp -146.4 129.4 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.31 110.834 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 81.1 t -97.96 108.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.33 111.143 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -80.8 126.24 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.1 t -111.32 117.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.25 111.112 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -116.9 -15.09 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.86 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -51.56 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 75.21 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -176.04 -179.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 73.5 110.902 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.3 t -72.73 -45.88 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.815 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.99 -38.5 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -75.66 -24.92 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 71.1 111.085 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -54.44 -43.33 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.092 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -64.01 -53.69 46.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 74.1 110.882 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.06 -43.17 97.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.53 112.447 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 48.9 t -72.09 -26.07 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 74.35 111.115 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.24 -55.48 13.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.114 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.23 -43.38 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.943 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.51 -45.33 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -63.73 -50.08 70.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.22 111.111 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.31 -36.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 72.04 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.47 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.033 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 46.9 pt -71.02 -24.47 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 70.12 111.086 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.0 56.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 74.34 112.462 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -65.61 175.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 73.12 111.077 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -116.68 -28.47 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -161.12 158.08 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 73.5 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 5.0 tp -138.65 134.06 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 74.41 110.96 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -131.08 138.61 49.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 21.2 mt -115.74 -167.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.922 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -85.33 155.46 21.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.55 110.965 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.8 tp -79.36 131.79 36.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 74.43 110.882 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.13 55.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 74.42 112.471 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.9 p -91.74 148.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 73.4 111.166 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.81 103.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 62.24 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -116.42 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 35.0 tp10 -51.94 -35.9 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.922 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -47.46 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 74.22 110.948 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.1 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.25 -32.09 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 72.15 111.1 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 20.9 t -78.54 -39.4 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.43 111.12 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 33.3 tp -55.99 -45.6 78.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.4 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 61.33 111.106 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -69.17 -26.73 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -61.04 -35.16 76.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 64.44 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.5 -23.87 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.13 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.65 -5.84 27.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 73.41 112.509 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 156.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 64.43 110.896 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.56 94.7 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.869 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 14.9 p -100.55 132.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.54 111.152 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.88 105.86 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 71.53 111.107 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.6 ptt? -104.15 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.854 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 51.73 34.4 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.907 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 mmm180 -150.44 135.89 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.923 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 23.7 t -127.34 129.71 23.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.619 0.723 . . . . 73.32 110.862 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -21.42 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 73.33 112.363 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.36 74.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.141 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.07 -24.42 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 64.5 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -70.37 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.45 110.861 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.527 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.4 tp -54.69 -57.51 18.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.631 0.729 . . . . 75.35 110.936 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.527 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.77 -4.26 13.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 70.3 112.341 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -34.18 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.89 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.3 -30.83 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 73.24 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -98.54 -23.74 11.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 72.31 112.474 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.0 28.43 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 73.33 110.886 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.49 164.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 73.01 111.094 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 73.3 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -105.25 147.9 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 62.34 110.889 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -127.04 163.84 22.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -123.48 39.37 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.23 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -143.27 -176.18 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.859 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt -52.54 -27.61 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 72.21 111.141 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.82 -39.81 68.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.22 111.128 179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.31 -32.17 52.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 71.34 112.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.27 -29.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 73.11 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.19 -28.05 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 74.35 110.91 179.925 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.3 t -87.44 -20.37 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.5 111.139 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -87.15 -67.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 64.05 110.857 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 128.38 44.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 65.03 111.144 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -103.7 104.25 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 75.23 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -139.17 130.02 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 64.02 111.141 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -112.33 128.28 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 63.3 111.107 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.65 151.52 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 62.41 111.105 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 tp -131.71 127.34 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.0 110.917 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 25.9 t -104.79 126.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.45 111.153 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 63.9 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 73.14 112.538 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.73 107.24 18.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 71.42 111.082 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -123.46 -175.32 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 71.4 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -99.51 47.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 72.33 110.872 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -110.61 84.47 4.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 73.44 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 74.51 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.48 24.78 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 71.53 110.896 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -132.69 159.18 73.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 72.12 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.74 -16.42 37.64 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 75.43 112.327 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -29.08 55.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 75.25 110.834 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -87.8 -44.32 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.885 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -53.79 -32.5 52.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 70.11 110.869 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 89.5 t -77.21 -40.18 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 73.01 111.13 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 28.3 ttm -55.3 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 74.33 110.856 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -64.94 -22.35 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.94 -51.49 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.12 110.928 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 16.2 mt -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.926 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -76.76 -42.37 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 72.34 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.75 -24.88 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 74.55 110.942 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.37 44.54 1.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 73.22 112.497 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -119.82 167.36 12.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 74.24 110.919 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.02 117.67 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 75.12 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 87.4 t -110.66 132.52 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.11 111.101 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.3 79.57 70.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 73.1 111.098 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 134.75 28.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 74.23 112.31 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.56 121.97 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 73.12 111.181 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 152.09 43.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 74.34 110.899 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.42 36.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 75.54 112.364 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -106.49 -29.92 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 73.4 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.53 -6.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 75.2 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.123 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.86 7.68 21.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.481 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -139.82 163.34 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.22 110.9 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.42 122.53 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.169 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 2.9 mt -109.63 122.5 47.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.94 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 15.5 mt 58.72 21.78 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 71.44 110.946 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.14 69.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 71.05 112.466 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.72 137.53 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 63.42 110.909 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -72.19 132.39 44.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.3 110.869 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.21 159.95 36.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.464 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -148.79 135.39 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 74.5 110.913 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.16 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 74.04 111.066 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 t -166.86 156.71 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.159 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -24.39 67.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 71.42 110.917 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.5 2.71 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 70.21 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -101.44 -21.1 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 61.51 110.869 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.5 p -99.06 133.16 22.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 73.3 111.136 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 74.13 112.309 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.65 151.21 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -101.93 144.95 29.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.873 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 88.7 t -98.86 143.84 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 60.03 111.17 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -108.02 -39.56 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 ttp -132.06 112.02 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.884 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 46.3 t -89.05 108.64 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 74.44 111.094 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -89.65 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.794 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 15.3 t -104.52 107.45 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.42 111.131 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -125.3 -2.31 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.899 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -48.17 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 74.02 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -150.93 175.21 12.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.52 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -73.94 -60.03 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 74.24 110.904 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -60.32 -25.52 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 71.05 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.28 -28.12 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.24 111.135 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.47 -30.23 19.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.106 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -71.32 -53.32 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 73.42 110.934 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.18 -29.9 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 71.01 112.549 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 21.2 t -82.82 -37.28 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 74.53 111.121 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.6 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.066 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.78 -42.88 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.43 -44.48 87.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.42 110.865 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -37.65 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 61.02 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 9.9 mt -75.29 -25.42 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 111.098 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.66 -51.59 48.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 73.32 111.067 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.76 -31.19 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.05 111.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.41 52.9 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 73.54 112.463 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.31 171.23 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.31 111.128 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -117.49 -28.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.14 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.93 158.78 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 72.5 111.175 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 15.6 tp -137.72 102.25 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.912 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 1.3 t-105 -99.64 133.76 43.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.909 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 53.9 mt -108.22 -174.14 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.923 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -84.66 144.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.943 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.5 tp -55.49 141.14 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.927 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.2 16.03 68.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 71.42 112.44 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.83 122.5 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 64.24 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 46.9 mt -125.07 132.84 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 74.41 111.081 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.93 106.06 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 54.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.75 -37.61 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.941 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -49.11 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.01 -24.19 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.11 111.071 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.31 -51.28 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 65.21 111.117 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -73.51 -33.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.54 -28.95 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 75.23 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.57 -39.72 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 63.51 111.129 179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.2 -39.3 59.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.79 -30.65 45.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 75.1 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -24.36 14.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 65.1 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.75 31.32 5.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 75.24 112.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.42 151.21 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 72.31 110.913 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 m -87.96 100.64 13.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 99.8 t -91.29 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.15 111.17 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 44.0 t -140.67 116.42 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 73.02 111.141 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -117.97 173.19 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.884 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.17 31.16 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -149.59 139.12 21.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 75.54 110.848 -179.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -133.43 149.2 71.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.708 . . . . 62.35 110.879 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -29.83 22.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 70.25 112.341 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.43 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 74.13 111.075 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 mm -98.87 -22.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 63.54 111.097 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.17 -27.53 56.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 74.32 110.886 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.538 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -66.65 -57.47 11.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.709 . . . . 64.15 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.538 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.74 -6.5 18.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.686 2.257 . . . . 64.21 112.378 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -51.78 -29.7 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 74.42 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.67 -30.46 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 75.34 110.959 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.66 39.68 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 63.3 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.1 mp -116.23 -20.72 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 74.43 110.919 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.36 153.52 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 73.11 111.097 179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 75.12 110.873 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.451 ' N ' ' HZ3' ' A' ' 2' ' ' LYS . 27.3 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 72.11 110.887 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.451 ' HZ3' ' N ' ' A' ' 1' ' ' MET . 0.1 OUTLIER -87.06 146.47 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 73.42 110.948 179.926 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -138.2 -41.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 72.13 110.884 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.89 163.74 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 74.21 110.902 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.92 -23.49 12.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 74.43 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 pt -52.74 -27.66 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 74.15 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.87 -37.06 65.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.09 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.69 -34.13 44.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 64.14 112.455 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.0 mp -75.48 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.857 0.36 . . . . 74.25 111.115 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -85.31 -27.12 26.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 75.15 110.911 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 4.8 t -87.86 -20.9 25.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -85.92 -67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.2 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.89 135.35 49.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -110.42 103.92 12.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 74.52 110.885 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 90.8 m -139.41 143.62 37.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 74.3 111.139 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.4 mp -128.15 137.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.21 111.097 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.25 140.43 52.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.51 111.102 179.8 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.2 tt -116.16 134.8 54.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.884 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 t -106.78 124.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.12 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 51.2 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.803 -0.713 . . . . 54.32 112.497 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.22 112.08 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 73.2 111.122 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -128.12 -169.19 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -92.91 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.845 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -108.71 87.67 4.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.568 0.699 . . . . 74.51 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.48 21.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 74.05 112.323 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -99.42 17.51 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 62.25 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.79 156.44 44.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 71.43 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -23.17 30.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 71.13 112.324 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -19.07 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 75.2 110.88 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.3 -46.58 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 75.51 110.919 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 5.0 ptp180 -53.55 -39.43 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.866 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 34.1 t -77.24 -31.19 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.103 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 14.6 tpt -59.0 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 74.44 110.87 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.49 -20.64 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.07 -47.77 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.54 110.925 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 53.1 mt -64.21 -40.87 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 74.1 110.911 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 50.9 mt -66.62 -41.82 87.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.11 110.918 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -51.15 63.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.74 -25.1 53.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 73.21 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 51.59 1.37 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 71.42 112.535 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -117.08 172.89 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.23 110.903 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.04 109.05 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 65.51 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 19.6 t -109.41 144.58 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 72.44 111.154 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -134.25 78.13 58.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 75.44 111.126 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 134.26 27.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.612 2.208 . . . . 73.23 112.369 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.1 122.27 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 72.51 111.168 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 75.41 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -13.94 35.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.65 2.234 . . . . 74.34 112.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -106.03 -30.65 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 75.1 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.15 -3.77 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 70.43 111.145 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.93 95.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.24 111.111 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.24 11.38 7.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 70.41 112.499 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -142.95 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 74.1 110.888 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.17 113.53 26.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 70.43 111.144 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.76 116.62 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 74.23 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.7 mt 58.27 22.76 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.41 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.83 -9.8 66.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 71.01 112.489 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -94.72 131.42 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 75.54 110.87 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.21 135.49 57.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.44 110.939 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.86 166.78 31.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 73.11 112.49 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -154.24 137.2 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 73.11 110.929 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -64.6 -24.44 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 64.23 111.117 179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -166.75 153.43 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.9 pp -61.95 -17.87 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 71.31 110.96 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.46 4.03 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.09 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.19 -23.2 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 7.2 p -94.07 133.05 28.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 75.34 111.164 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -42.21 3.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 75.23 112.362 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -59.65 151.12 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.919 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -111.73 133.56 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 7.2 p -84.27 144.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 62.1 111.131 179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.55 -24.32 19.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.859 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 3.0 ttm -144.22 117.26 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 62.25 110.865 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 58.3 t -94.92 111.0 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.149 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -90.81 114.35 26.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 72.12 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.62 114.92 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.14 111.107 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -119.31 -9.94 9.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.4 110.93 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -51.48 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 73.34 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -168.98 -175.78 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 73.43 110.909 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -74.95 -53.15 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.44 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -53.53 -36.01 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 75.4 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.8 -28.54 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 71.1 111.061 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.09 63.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 74.45 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -66.57 -54.35 24.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 74.54 110.946 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.18 -40.33 93.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.442 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.8 t -74.34 -33.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 73.21 111.163 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.89 -57.41 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 73.01 111.085 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.02 -44.79 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.916 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.51 -43.97 97.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 75.12 111.098 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -75.0 -23.15 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.197 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.39 -51.44 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 63.43 111.096 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.4 pp -71.66 -27.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.131 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.15 51.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 75.1 112.518 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 71.12 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -127.41 -38.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 74.51 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.5 m -148.04 158.37 44.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.113 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 8.1 tp -136.64 130.98 33.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 75.32 110.94 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 6.4 t-105 -128.74 133.87 48.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.905 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.1 mt -111.15 -168.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 75.42 110.943 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -86.6 158.04 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.899 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 2.5 tp -80.34 131.74 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.852 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.45 -13.14 56.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 65.3 112.471 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 9.2 p -93.82 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.34 111.134 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.0 mt -142.96 111.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 75.53 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -125.62 87.76 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 75.11 110.894 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.91 -28.4 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 62.32 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.1 -50.14 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 72.52 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.7 -23.58 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 74.11 111.101 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.65 -52.17 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 71.34 111.131 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.77 -32.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.52 111.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.0 tp -52.68 -28.76 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.3 110.891 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -87.42 -32.52 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.112 179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -61.43 -39.67 91.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 64.22 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.84 -31.49 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 73.14 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.49 -24.12 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 61.42 111.084 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.51 -12.07 39.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 62.4 112.46 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 3.0 tp -51.77 148.8 5.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 73.5 110.912 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 m -86.39 98.73 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.51 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.95 125.57 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.088 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 42.9 t -128.96 109.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 74.21 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.22 179.6 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.841 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 t0 51.86 38.08 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 72.12 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.6 mtt-85 -151.97 136.27 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 72.52 110.903 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.6 t -108.75 129.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 71.05 110.889 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.93 35.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 74.21 112.333 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.36 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 70.42 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.8 mm -98.52 -23.6 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.194 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -79.53 -42.72 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 63.5 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.4 tp -51.06 -57.09 15.0 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.647 0.737 . . . . 74.23 110.919 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.76 -4.96 15.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 72.22 112.317 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -78.82 -36.42 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.813 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 -30.9 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.31 -23.61 18.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 60.22 112.477 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tp 64.41 26.52 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 75.21 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -50.67 141.61 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.097 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.9 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 pt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 51.4 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.11 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 61.21 111.072 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.13 -31.59 51.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 44.52 112.477 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.28 -37.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 73.55 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -78.75 -35.25 44.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.925 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.52 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -76.18 -27.74 57.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 t -82.25 -63.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.81 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -128.34 124.26 36.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.13 111.117 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -107.24 104.31 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -139.26 118.4 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.144 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.881 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -108.45 126.14 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 53.13 111.177 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.04 127.97 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 31.33 111.093 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.4 135.47 39.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.592 HG21 HG11 ' A' ' 86' ' ' VAL . 24.9 t -105.53 126.45 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.06 43.76 38.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 60.04 112.47 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.11 95.94 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 60.31 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -106.33 -169.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.846 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.85 44.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.11 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -109.8 83.47 2.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 72.2 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.89 17.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 74.22 112.316 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -98.05 22.81 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.876 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -128.09 159.84 64.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 74.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.78 -19.4 36.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 50.54 112.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 m -74.37 -23.84 59.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.53 110.821 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -88.6 -48.91 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.905 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -33.95 60.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.02 110.856 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.755 HG21 ' CD2' ' A' ' 77' ' ' PHE . 27.5 m -77.24 -31.08 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.02 111.089 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.4 ttm -65.45 -66.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.846 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -24.01 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.922 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.52 -46.17 70.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.904 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.881 HD13 HG21 ' A' ' 16' ' ' ILE . 63.0 mt -70.77 -29.31 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.928 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 43' ' ' VAL . 11.0 mt -69.12 -46.76 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.56 -40.16 88.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 62.35 110.893 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -56.49 -25.35 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.99 39.7 3.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 51.43 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 68.9 m-85 -118.38 153.99 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 60.13 110.9 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -73.08 104.96 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.804 HG12 ' HD3' ' A' ' 45' ' ' PRO . 50.2 t -101.67 129.88 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 70.53 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -127.49 77.35 76.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 74.54 111.091 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.804 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.83 126.5 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.726 2.284 . . . . 64.15 112.346 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.87 122.1 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 52.23 111.114 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.42 46.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 65.14 110.916 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 43.12 112.359 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -103.77 -32.46 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 1.96 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.53 111.119 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.586 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -57.17 99.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 71.21 111.082 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.84 18.89 33.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.677 -0.773 . . . . 70.03 112.522 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -127.18 177.56 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 70.31 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.74 121.02 41.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.83 105.78 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt 60.1 26.01 15.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.77 -10.04 68.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.69 -0.766 . . . . 72.52 112.493 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -94.74 131.48 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 72.53 110.923 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -60.31 136.0 57.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.96 158.71 23.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 52.44 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.2 141.79 26.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 70.14 110.937 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.52 -32.3 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 62.03 111.072 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.0 p -149.02 154.35 39.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.54 111.114 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HD13 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -64.78 -15.37 61.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.885 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 11.01 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.33 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -110.94 -21.17 12.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.87 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -81.64 133.09 53.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 62.51 111.153 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.81 -42.17 3.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 71.11 112.338 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.1 135.41 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 44.02 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -80.67 123.86 28.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 61.5 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.05 140.48 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.24 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.41 -26.38 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.864 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ttp -144.87 113.98 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.872 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' A' ' 98' ' ' LEU . 65.2 t -90.39 113.92 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.112 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.65 104.2 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.913 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG22 HG11 ' A' ' 86' ' ' VAL . 21.7 t -104.17 105.13 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 72.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' A' ' 32' ' ' VAL . 26.1 m-85 -122.22 -5.17 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.901 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HD3' HG12 ' A' ' 19' ' ' VAL . 48.6 mtm180 -52.02 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.15 110.861 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -149.48 -178.24 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 62.4 110.86 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.9 p -74.11 -59.63 2.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 54.55 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.66 -26.29 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 43.04 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -55.75 -30.46 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' A' ' 100' ' ' LEU . . . -58.55 -35.83 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.126 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -67.15 -54.43 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.96 -42.28 98.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.435 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 19' ' ' VAL . 48.1 t -71.6 -25.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 50.52 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.567 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -70.39 -55.89 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.1 -44.16 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.07 -45.87 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -50.38 73.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.094 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.95 -26.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.04 -50.68 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 71.11 111.128 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.832 HD13 HD12 ' A' ' 64' ' ' LEU . 44.2 pt -71.66 -25.18 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.105 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.96 54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.473 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.652 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -68.91 -178.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 62.05 111.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -133.6 -40.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -134.01 158.23 44.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.125 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.592 HD23 HG23 ' A' ' 120' ' ' VAL . 9.6 tp -142.7 122.43 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 121' ' ' VAL . 2.9 t-105 -118.79 127.54 53.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.892 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 122' ' ' MET . 12.5 mt -104.86 -169.97 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -81.09 142.49 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -76.78 133.39 39.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 42.41 110.913 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -12.72 56.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 73.03 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.95 151.94 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 74.11 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.59 117.52 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.133 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -125.81 98.58 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.87 -29.59 69.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.889 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -49.22 70.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.896 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.35 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 44.02 111.048 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -66.1 -51.11 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.074 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.45 -32.39 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 70.34 111.104 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 87' ' ' ALA . 23.7 tp -52.91 -28.48 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 53.35 110.908 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -39.31 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 51.41 111.13 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -54.94 -36.31 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.836 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -52.88 -29.21 26.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.76 -23.52 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.41 37.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.476 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.6 tp -51.92 148.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 74.12 110.949 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 98.45 10.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.918 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 110' ' ' ALA . 10.0 p -91.64 131.19 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.43 111.109 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.433 HG21 ' CZ3' ' A' ' 99' ' ' TRP . 22.0 t -132.33 105.95 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 61.53 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.642 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -104.42 168.18 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.89 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.81 40.1 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.848 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 102' ' ' LEU . 15.7 mtt180 -151.07 136.75 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.4 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.58 149.7 68.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 64.15 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 61.44 112.363 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.28 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.098 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 102' ' ' LEU . 62.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.158 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 9' ' ' ILE . 16.1 pt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.863 0.363 . . . . 62.03 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -35.64 63.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 65.15 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.07 -31.69 51.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 55.15 112.481 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.2 mp -76.18 -36.53 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 64.25 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.9 -31.33 45.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.935 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.528 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -81.52 -25.75 35.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 63.23 111.107 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 t -81.54 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.89 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.47 135.42 49.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.24 111.185 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -110.53 103.5 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 63.54 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 71' ' ' VAL . 85.8 m -139.83 143.54 36.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 51.43 111.148 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.866 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -128.43 136.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.13 111.142 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.65 135.57 53.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 61.34 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 29' ' ' SER . 5.7 tt -108.79 135.37 50.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG22 ' HD2' ' A' ' 78' ' ' ARG . 10.4 p -99.33 135.8 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.105 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.88 60.85 6.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.521 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -93.68 90.13 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 72.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -106.92 -168.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 52.14 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.66 43.27 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 53.43 110.865 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -109.68 83.94 2.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.582 0.706 . . . . 64.14 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 70.41 112.315 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -98.15 23.88 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -128.61 160.49 62.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 71.24 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.75 -14.42 36.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 71.24 112.344 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . 3.2 p -77.41 -27.7 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.835 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.63 -45.53 10.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.25 -32.82 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.804 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 91.3 t -77.09 -38.8 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 52.13 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.3 ttm -54.77 -57.17 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -66.76 -22.04 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 63.01 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.07 -51.36 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 16' ' ' ILE . 80.5 mt -73.28 -25.44 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.936 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.601 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.9 mt -76.66 -44.16 35.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.55 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.83 -40.44 79.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.75 -25.35 54.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.08 38.33 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 25.31 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -116.33 164.83 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 65.41 110.933 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -82.82 117.3 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 70.31 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HD3' ' A' ' 45' ' ' PRO . 27.3 t -113.67 140.06 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.83 76.86 76.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.621 0.724 . . . . 75.55 111.111 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.61 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.78 126.99 13.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 74.21 112.312 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.01 122.54 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.108 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.31 152.44 46.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 75.1 110.883 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 73.41 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -106.25 -33.65 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.615 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.46 -6.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.124 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.7 103.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.15 111.138 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.48 19.75 21.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 74.11 112.493 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 177.46 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.34 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.4 114.45 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.15 111.143 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -110.57 117.61 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 62.22 110.944 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt 62.78 25.64 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.52 -2.56 86.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 73.24 112.484 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -94.82 143.86 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 74.32 110.942 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -72.02 139.53 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.942 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.615 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.03 153.44 20.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.717 . . . . 71.24 112.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -147.01 137.99 23.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 73.32 110.939 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.603 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.11 -25.4 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -169.56 161.86 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.14 111.166 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.804 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.21 -15.68 60.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 72.52 110.882 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 11.98 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.118 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -113.14 -21.07 11.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.845 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -88.26 133.08 37.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 65.13 111.142 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.69 -42.29 3.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 74.34 112.37 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.88 140.06 53.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -95.72 126.11 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.88 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 74' ' ' VAL . 7.5 p -74.55 144.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 43.13 111.097 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.69 -21.38 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.03 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.605 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -145.48 114.73 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 55.22 110.888 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.734 HG22 HG11 ' A' ' 71' ' ' VAL . 50.8 t -97.47 112.89 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.25 111.153 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.7 m-20 -99.11 115.43 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.887 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG13 HG11 ' A' ' 19' ' ' VAL . 93.7 t -97.82 117.31 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.804 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 76.8 m-85 -119.23 -11.14 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HD2' HG22 ' A' ' 19' ' ' VAL . 15.8 mtt180 -51.35 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.31 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -176.23 177.46 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.9 p -70.74 -53.64 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 72.13 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -55.16 -29.65 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.881 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -74.13 -26.4 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.114 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.75 -44.42 63.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -65.41 -52.83 50.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.54 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.47 60.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 60.04 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 82' ' ' ALA . 97.7 t -78.28 -39.65 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 74.44 111.143 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.565 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -53.89 -54.27 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 70.24 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -55.01 -41.04 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 61.34 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' LEU . 11.9 mt-10 -66.3 -45.74 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.89 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.42 -48.58 81.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.03 111.119 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.95 -30.98 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.162 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.81 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 71.02 111.106 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HD12 ' A' ' 64' ' ' LEU . 45.7 pt -74.09 -25.33 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.11 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.98 52.13 0.91 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.492 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -57.9 -179.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 73.12 111.091 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -123.16 -37.34 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.915 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 119' ' ' SER . 1.3 m -148.14 158.57 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.45 111.115 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -136.21 132.27 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.95 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.551 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -131.38 128.62 39.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.945 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 122' ' ' MET . 31.6 mt -107.54 -170.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.83 145.35 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 43.32 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -75.31 128.53 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.878 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.58 -16.08 34.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 74.52 112.496 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.89 150.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 71.23 111.119 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.9 mt -134.6 115.83 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.143 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.75 87.4 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.04 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.651 ' O ' HG23 ' A' ' 111' ' ' VAL . 43.9 tt0 -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.33 110.89 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.24 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 44.34 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.412 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -74.87 -32.24 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.088 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -76.68 -41.15 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 50.01 111.169 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 87' ' ' ALA . 19.2 tp -53.61 -60.34 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.928 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.85 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.083 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -63.21 -34.46 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.41 -41.62 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 52.43 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.06 -24.19 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.1 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.05 -6.1 50.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 72.55 112.488 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 95' ' ' ALA . 3.3 tp -51.63 156.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 73.23 110.905 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.477 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -85.94 95.78 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.88 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -91.58 123.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 50.31 111.112 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.551 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -133.54 105.77 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.689 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -109.51 179.98 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.88 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 51.91 36.54 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.504 ' HA ' HD12 ' A' ' 102' ' ' LEU . 39.0 mmt180 -151.1 136.38 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.897 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.3 130.68 19.27 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.645 0.736 . . . . 61.3 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.58 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 60.25 112.312 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.38 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 73.04 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.3 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 70.35 111.15 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 74.24 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.78 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 53.12 111.126 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.85 -32.05 51.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.5 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 9' ' ' ILE . 4.0 mp -75.51 -31.57 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 74.42 111.15 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -84.71 -29.62 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.11 110.924 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.1 t -82.81 -24.34 33.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.168 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -81.68 -65.39 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 62.12 110.852 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.1 m -128.49 144.53 51.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 63.33 111.129 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -116.42 102.76 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.8 m -140.6 143.53 35.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.14 111.124 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 36' ' ' LEU . 4.8 mp -133.17 120.47 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.14 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -113.82 122.24 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.03 111.1 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.21 127.55 36.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.958 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' N ' HD13 ' A' ' 18' ' ' LEU . 69.4 t -98.07 115.5 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.24 111.136 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.44 59.72 1.71 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 44.43 112.503 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 94.12 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 72.43 111.144 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -102.69 -169.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -94.8 44.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 64.32 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -109.95 83.46 2.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 71.33 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.34 18.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 74.4 112.334 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.82 23.11 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -126.04 161.04 53.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.582 0.706 . . . . 61.33 110.86 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.81 36.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 75.04 112.363 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -77.19 -27.49 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.74 -46.12 9.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.938 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -33.34 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 75.44 110.869 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.0 p -77.0 -36.13 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.123 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -62.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -63.24 -22.09 66.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.898 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -70.91 -47.12 60.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 53.21 110.954 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 16' ' ' ILE . 95.1 mt -68.4 -34.92 76.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.9 mt -67.55 -46.76 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.903 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.82 -55.67 24.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.86 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -56.82 -25.45 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 65.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.72 60.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 72.14 112.534 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 58.3 m-85 -127.85 155.35 44.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 65.01 110.923 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.874 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.605 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.6 t -106.87 134.65 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.144 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.37 77.91 76.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 71.12 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.74 128.9 16.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 61.15 112.341 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.18 121.95 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 61.03 111.112 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.78 152.53 44.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 62.24 110.88 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.45 28.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 55.11 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -106.26 -33.46 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.869 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 55' ' ' LEU . 9.1 p -77.57 -9.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 71.4 111.152 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.31 102.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 64.13 111.115 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.36 17.38 20.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 44.1 112.497 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -133.85 177.72 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 65.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 108.24 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 64.33 111.095 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 50' ' ' VAL . 4.6 mt -98.1 111.15 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt 62.14 25.22 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.901 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.33 77.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.44 112.494 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -94.94 141.39 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -66.02 143.76 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.882 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.91 156.38 20.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.488 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -149.98 133.72 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.41 110.91 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.063 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -145.47 148.31 33.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.55 111.193 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.67 -19.49 65.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.931 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 93' ' ' ILE . . . -71.05 -12.75 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 44.41 111.113 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -89.14 -31.49 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 50.21 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.36 108.52 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 62.12 111.099 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -43.35 2.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 73.23 112.359 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.24 110.6 5.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -52.03 118.91 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 51.34 110.905 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 74' ' ' VAL . 5.1 p -74.09 148.1 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.112 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.61 -32.12 11.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.49 125.9 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.844 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.598 ' CG2' HG11 ' A' ' 71' ' ' VAL . 21.8 t -113.53 131.47 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.34 151.24 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.844 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.18 119.43 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 91.8 m-85 -118.8 -10.34 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -51.61 -72.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -157.34 170.64 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -72.56 -57.47 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.75 -27.46 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 71.35 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -67.38 -23.6 65.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 41.14 111.087 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 70.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.3 t-105 -67.67 -54.4 19.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.926 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.24 -37.9 75.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.75 . . . . 65.35 112.528 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' ALA . 40.2 t -79.0 -30.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 71.44 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.5 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.84 -42.65 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.938 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.24 -38.31 87.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.13 111.093 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.795 HD12 HD22 ' A' ' 112' ' ' LEU . 51.9 mt -70.23 -29.69 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.64 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.54 111.072 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.567 ' CD1' HD12 ' A' ' 64' ' ' LEU . 26.2 pt -76.32 -30.51 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.069 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.73 80.7 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 31.43 112.482 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -86.89 -169.63 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 60.21 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.42 -43.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.914 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.69 158.23 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 62.22 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.4 tp -138.72 105.85 5.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.453 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -103.63 137.94 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.923 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.715 HD12 ' HB3' ' A' ' 122' ' ' MET . 52.6 mt -111.17 -179.26 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -87.13 139.21 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.94 135.84 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.23 18.04 65.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 42.42 112.518 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.43 127.74 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 73.22 111.118 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.9 mm -129.19 115.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.156 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.601 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 9.6 t-20 -120.72 91.82 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.891 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 6.5 tt0 -52.01 -36.8 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 71.2 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -52.73 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 52.11 110.927 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.601 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.54 -25.93 40.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 51.33 111.085 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.7 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 43.42 111.074 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -60.0 -47.63 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 50.43 111.129 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.92 -52.22 51.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.92 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.13 -33.45 76.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.3 111.102 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.38 -46.2 89.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -82.28 -24.14 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 45.33 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.69 39.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 62.13 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.714 HD11 ' C ' ' A' ' 95' ' ' ALA . 1.1 tp -51.84 153.82 2.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 75.43 110.912 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -91.12 95.85 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.59 130.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.453 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.5 t -134.96 112.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.12 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.715 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.51 178.53 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.892 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.25 30.45 7.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.13 161.31 37.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 72.15 110.881 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.5 t -156.71 129.46 4.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 63.31 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -22.9 31.17 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.258 . . . . 74.05 112.352 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.55 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.24 111.069 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.128 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 73.1 111.125 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.7 68.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 53.34 111.049 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.91 -33.06 47.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 64.42 112.525 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.38 -30.99 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 73.13 111.112 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -28.02 25.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.924 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.3 t -86.23 -21.6 27.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -84.91 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.49 140.4 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.103 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -110.24 103.75 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 71' ' ' VAL . 89.1 m -139.56 143.68 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.141 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.793 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -129.57 134.84 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.45 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.53 141.48 51.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.093 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 77' ' ' PHE . 13.7 tp -115.87 135.37 54.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 63.41 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.517 ' N ' HD12 ' A' ' 18' ' ' LEU . 99.2 t -112.1 106.52 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.34 111.165 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.07 59.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 63.53 112.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.39 135.1 38.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 75.51 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -150.74 -169.51 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 54.22 110.857 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.54 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.43 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -110.06 83.19 2.85 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 65.42 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.17 17.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.262 . . . . 74.31 112.343 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.05 24.94 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 41.34 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -129.1 159.09 70.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 64.11 110.845 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.81 -16.71 37.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 74.2 112.381 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -25.52 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.88 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.37 -46.99 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.42 110.922 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -53.68 -34.64 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 74.04 110.866 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.702 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 87.1 t -77.23 -39.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.35 111.095 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttp -54.35 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.885 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.34 -20.26 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.97 -49.47 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.892 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.793 HD13 HG21 ' A' ' 16' ' ' ILE . 69.5 mt -70.85 -28.62 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.896 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 58' ' ' GLN . 11.1 mt -72.38 -43.28 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.917 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.882 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -56.85 -25.29 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.43 44.11 1.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 53.22 112.473 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.1 m-85 -125.35 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 73.21 110.943 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.17 121.93 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 35.2 t -114.33 131.6 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 62.2 111.174 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mt -124.91 75.25 66.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.639 0.733 . . . . 72.24 111.186 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.74 136.54 33.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 75.32 112.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.83 122.31 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 54.34 111.114 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 152.53 46.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 74.34 110.85 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.7 24.28 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 74.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -106.21 -34.0 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 72.2 110.944 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -78.94 -7.75 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.113 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.6 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.24 111.103 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.86 19.03 20.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.24 112.467 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -134.18 177.63 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 54.13 110.926 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.97 117.96 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.43 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -108.18 114.67 28.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 mt 58.75 25.92 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 53.13 110.936 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.31 6.4 68.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 72.05 112.463 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.511 ' CD ' HD21 ' A' ' 37' ' ' LEU . 43.4 mm-40 -103.21 131.29 50.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 72.25 110.872 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -62.18 141.59 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.22 154.62 20.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 75.41 112.522 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -147.15 137.13 23.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.914 0.387 . . . . 75.23 110.938 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.607 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.54 -31.04 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.43 111.098 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 t -157.68 151.49 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 65.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -62.46 -18.23 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.891 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.57 -18.37 64.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.99 -31.01 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.823 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 64' ' ' LEU . 65.3 t -50.4 108.47 1.03 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.643 0.735 . . . . 64.33 111.112 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.39 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 70.54 112.38 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -66.5 118.54 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 65.13 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -70.62 116.07 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.849 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -76.58 144.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.113 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.91 -24.23 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 63.42 110.849 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.516 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -143.45 118.77 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.648 HG22 HG11 ' A' ' 71' ' ' VAL . 23.9 t -103.01 115.58 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.621 ' OD1' HG23 ' A' ' 16' ' ' ILE . 2.0 m-20 -102.32 138.18 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.899 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.83 119.02 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.156 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.702 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 8.4 m-85 -119.74 -9.02 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.66 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -168.15 171.76 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -68.0 -59.08 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 51.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.82 -28.09 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.21 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.63 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.089 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -41.58 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 63.43 111.136 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -67.75 -52.97 31.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.16 -38.51 77.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 43.23 112.476 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.3 t -78.92 -33.69 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 63.33 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.65 -55.48 34.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.093 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.1 pt20 -52.15 -42.5 63.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.79 -44.56 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.858 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.72 77.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.13 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 113' ' ' ALA . 21.6 mt -74.92 -23.7 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 73.44 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.62 -51.42 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 52.53 111.11 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.35 -30.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 52.01 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.01 52.6 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.811 -0.709 . . . . 65.1 112.509 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -59.57 177.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 60.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -117.88 -30.16 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.1 m -152.82 158.1 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.6 tp -133.37 114.09 13.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 71.33 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.623 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.9 t-105 -115.68 136.74 52.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.931 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.601 ' HB3' HG11 ' A' ' 104' ' ' VAL . 62.3 mt -112.09 179.04 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.869 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.0 mm-40 -85.27 134.4 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.913 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.3 mt -51.88 127.08 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.908 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.96 18.21 16.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 50.24 112.463 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 100' ' ' LEU . 10.0 p -117.97 144.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 74.45 111.173 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -142.6 101.36 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -128.09 87.99 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 55.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 111' ' ' VAL . 36.6 tt0 -51.83 -34.17 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.864 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.18 94.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.903 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.116 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.675 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.087 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -77.98 -43.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 42.21 111.172 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' A' ' 87' ' ' ALA . 40.0 tp -51.98 -43.85 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 64.53 110.905 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -76.35 -29.26 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.22 111.059 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -70.69 -37.45 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.885 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.31 -35.65 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.23 -24.29 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.42 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.44 -10.25 33.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 73.11 112.445 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.3 tp -51.75 153.46 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.802 0.334 . . . . 73.4 110.873 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -88.45 99.91 12.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.877 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.9 p -91.62 127.56 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.128 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.623 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -134.13 109.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.3 111.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.86 -177.53 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.854 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.86 39.69 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 52.51 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -142.0 149.96 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.906 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.536 ' HB3' HD12 ' A' ' 102' ' ' LEU . 25.9 t -153.66 129.5 5.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.557 0.694 . . . . 60.21 110.887 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.92 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 62.12 112.366 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.93 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.02 111.101 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 54.0 111.142 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.853 0.359 . . . . 73.54 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.52 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.077 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.02 -32.08 50.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 75.2 112.514 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.02 -36.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 43.32 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.84 -31.61 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.941 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.522 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -81.15 -25.87 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -81.83 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.837 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -128.47 134.2 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.54 111.153 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -108.84 103.38 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.843 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 71' ' ' VAL . 75.8 m -139.75 142.07 36.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 61.51 111.176 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.826 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -128.07 136.06 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.55 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -126.24 143.33 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.132 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -115.74 135.4 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 51.33 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 86' ' ' VAL . 57.9 t -106.44 119.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 64.1 111.128 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.83 61.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 70.32 112.48 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 115.76 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 73.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 p -131.23 -176.02 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.22 110.869 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.38 43.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 54.02 110.887 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -109.82 83.69 2.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.21 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.28 18.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 64.22 112.352 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -96.87 24.49 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.887 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -130.23 160.04 67.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 72.13 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -20.44 34.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.31 112.33 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -24.86 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.14 -48.91 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 62.45 110.968 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -54.8 -35.05 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 63.13 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.726 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 11.0 p -77.22 -31.95 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.111 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.586 ' SD ' HD12 ' A' ' 56' ' ' LEU . 1.7 tmm? -62.77 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 62.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.52 -21.53 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.925 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.46 -47.36 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.925 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD13 HG21 ' A' ' 16' ' ' ILE . 80.4 mt -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 63.5 110.914 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 43' ' ' VAL . 10.8 mt -72.38 -46.22 56.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.877 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.48 -41.06 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -57.07 -25.25 58.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.916 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.56 42.46 2.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.33 112.529 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.651 ' HB3' HD13 ' A' ' 16' ' ' ILE . 82.7 m-85 -120.11 157.89 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 53.14 110.904 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -79.23 114.62 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.853 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.646 HG12 ' HD3' ' A' ' 45' ' ' PRO . 21.8 t -110.51 133.64 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.44 111.135 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -128.66 77.01 78.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 73.51 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 138.01 36.78 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 63.21 112.351 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.25 122.38 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 60.21 111.12 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.46 151.9 44.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 64.24 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.71 26.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 74.31 112.319 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -106.4 -32.76 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.91 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.554 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -79.02 -9.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.118 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.32 104.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.076 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.93 18.79 23.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 52.02 112.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -133.02 177.58 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 74.55 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.96 119.88 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.01 111.168 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 5.3 mt -115.76 113.5 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.886 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' SD ' ' A' ' 33' ' ' MET . 27.2 mt 62.8 27.8 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.964 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.01 -0.06 85.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 55.33 112.498 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' CG ' HD11 ' A' ' 37' ' ' LEU . 8.8 mm100 -95.15 138.42 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 72.45 110.891 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.91 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.34 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.554 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.77 153.47 20.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 44.42 112.509 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -146.07 136.0 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 55.12 110.889 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.622 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.18 -25.37 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 54.54 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -168.05 156.07 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.02 111.124 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -58.99 -25.8 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 63.33 110.901 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.75 0.5 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.151 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.71 -20.07 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 71.43 110.896 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -102.57 133.03 20.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 70.13 111.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.1 Cg_endo -69.73 -42.27 3.58 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.385 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.19 139.78 28.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -102.9 118.87 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.736 HG11 HG22 ' A' ' 74' ' ' VAL . 9.2 p -74.11 142.71 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.137 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.76 -24.18 17.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.905 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.509 ' H ' HG22 ' A' ' 71' ' ' VAL . 24.1 ttm -142.74 113.93 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.11 110.857 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.736 HG22 HG11 ' A' ' 71' ' ' VAL . 53.0 t -95.86 111.1 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 65.22 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.2 m-20 -97.99 132.53 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.885 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.56 125.6 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 52.25 111.131 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.726 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 56.6 m-85 -131.07 9.03 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.2 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -64.77 -73.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.886 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -161.96 179.19 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.861 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -74.32 -60.29 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 51.23 110.833 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.65 -25.67 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -76.94 -23.59 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 53.53 111.116 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -38.57 54.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.074 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -68.14 -54.48 17.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 72.54 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.98 -39.1 67.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 19' ' ' VAL . 41.1 t -75.0 -33.18 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 62.03 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -58.02 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.69 -42.59 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.938 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' ILE . 19.0 mt-10 -61.8 -38.89 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.01 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.22 111.084 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.792 HD12 HD22 ' A' ' 112' ' ' LEU . 51.3 mt -73.85 -29.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 62.43 111.123 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.29 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.088 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 64' ' ' LEU . 35.7 pt -70.62 -24.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.64 49.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.442 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.559 ' O ' HD11 ' A' ' 118' ' ' LEU . . . -69.68 -176.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 72.33 111.101 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -127.84 -37.93 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.59 158.46 44.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.168 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 tp -140.54 103.79 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.542 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.1 t-105 -99.91 137.02 38.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.906 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 122' ' ' MET . 86.9 mt -112.75 -173.99 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 74.25 110.971 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.555 ' HB2' HG21 ' A' ' 104' ' ' VAL . 1.2 mm-40 -86.56 151.88 23.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.916 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.48 142.8 56.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.16 74.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 74.01 112.504 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 101' ' ' GLN . 40.8 t -122.17 100.82 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 64.24 111.1 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mt -99.31 109.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 55.13 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -113.77 87.39 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 111' ' ' VAL . 5.2 tp10 -52.68 -35.71 55.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 71.51 110.928 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -52.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.82 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.14 111.121 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -77.19 -34.34 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.42 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 107' ' ' GLU . 23.8 t -69.14 -44.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 71.25 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.792 HD22 HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -51.51 -52.18 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -66.1 -29.63 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.105 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.85 -24.98 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.18 -33.38 67.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.63 -24.38 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 43.13 111.092 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.64 -6.83 33.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 71.35 112.464 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 95' ' ' ALA . 1.8 tp -51.87 164.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.325 . . . . 53.21 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -103.04 95.68 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.83 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 110' ' ' ALA . 6.6 p -91.54 140.43 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 75.21 111.131 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.542 HG11 ' CH2' ' A' ' 99' ' ' TRP . 53.6 t -140.62 108.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 61.42 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.591 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.13 175.07 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.919 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.8 t0 60.44 31.36 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.876 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -143.83 168.24 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 44.41 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.07 138.46 3.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.41 110.893 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.3 28.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 43.13 112.318 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.05 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.1 mm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.132 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.8 pt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.825 0.345 . . . . 75.23 111.157 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.94 -39.37 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 53.12 111.115 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.42 -32.95 49.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 64.1 112.509 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.39 -30.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 62.31 111.158 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.12 -27.38 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -87.71 -20.71 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.131 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -85.42 -67.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.872 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.728 HG23 ' OD2' ' A' ' 72' ' ' ASP . 1.7 t -128.54 132.15 48.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -109.01 104.02 13.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 m -139.43 141.62 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.169 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.417 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.1 mp -132.49 136.42 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 60.44 111.106 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -129.06 131.71 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 32.42 111.095 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 135.45 39.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 86' ' ' VAL . 43.4 t -106.04 119.6 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.45 111.145 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.38 48.11 5.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.475 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.3 119.73 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 63.24 111.096 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -123.96 -175.51 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 63.35 110.859 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.29 43.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 64.23 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.93 87.55 4.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 50.15 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 71.23 112.34 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.44 23.93 11.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.88 160.78 47.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 63.24 110.856 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.8 -18.77 36.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 74.54 112.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -76.95 -27.3 54.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -88.19 -45.59 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.908 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 8.6 ptm180 -53.48 -33.4 54.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 65.45 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.1 p -77.15 -36.2 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.138 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttm -58.53 -61.7 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -64.56 -21.05 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.65 -47.27 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 50.9 mt -67.36 -40.56 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.05 -46.84 87.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 64.25 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.66 -53.73 54.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.816 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -57.56 -25.38 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.29 53.91 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 44.41 112.494 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -124.33 168.25 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 74.44 110.926 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.07 114.38 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.889 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.8 OUTLIER -108.89 142.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.05 111.166 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -129.44 77.96 76.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 63.05 111.144 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.83 12.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 73.12 112.322 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.83 122.21 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.147 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 152.86 47.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 75.33 110.906 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.72 24.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 52.03 112.335 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.31 -34.25 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.635 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.54 -5.74 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.124 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -55.22 100.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 52.41 111.067 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.38 20.46 15.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 72.1 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -136.89 170.55 15.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 75.32 110.912 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 119.62 35.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.183 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -111.38 116.95 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.936 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt 58.34 22.88 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.932 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.48 6.46 66.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 53.41 112.478 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.561 ' HG3' HG23 ' A' ' 43' ' ' VAL . 43.0 mm-40 -105.98 133.85 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 74.24 110.912 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.61 142.11 57.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.34 110.855 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.95 155.47 20.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 73.55 112.485 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -148.23 138.49 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 72.23 110.933 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.08 -26.35 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.116 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -161.26 152.14 18.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.33 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.6 -15.51 61.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.894 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 11.76 21.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.166 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -113.08 -20.6 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.876 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.44 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -82.7 133.16 49.76 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 75.52 111.095 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.5 Cg_endo -69.79 -42.08 3.69 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 74.1 112.369 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.76 151.52 45.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -101.13 144.52 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.5 p -91.29 144.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 72.52 111.078 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD2' HG23 ' A' ' 13' ' ' THR . 7.4 t70 -91.93 -37.43 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.863 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 ttp -140.35 114.16 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 98' ' ' LEU . 32.3 t -80.77 106.9 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.12 111.136 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.65 99.7 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.8 107.46 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.143 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.672 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 16.9 m-85 -119.8 -9.29 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -51.55 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 54.44 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -174.77 178.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.887 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.5 p -68.11 -53.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.12 -36.63 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.834 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.87 -28.7 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.12 111.073 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -42.61 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.537 ' CZ3' HD12 ' A' ' 112' ' ' LEU . 58.2 t-105 -63.09 -54.48 37.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.76 -39.24 61.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 72.25 112.523 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 19' ' ' VAL . 58.6 t -75.93 -34.27 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 64.13 111.078 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.66 -54.21 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.048 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.45 -42.03 91.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.68 ' HB3' HD11 ' A' ' 64' ' ' LEU . 1.8 mt-10 -58.59 -45.96 88.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.913 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' CB ' ' A' ' 95' ' ' ALA . . . -59.84 -39.38 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 65.24 111.111 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.754 HD12 HD22 ' A' ' 112' ' ' LEU . 48.6 mt -68.54 -28.44 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.32 111.119 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.15 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.22 111.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 HD12 ' A' ' 64' ' ' LEU . 40.3 pt -83.01 -27.83 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.25 111.132 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.79 58.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.474 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.674 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -70.25 -169.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 55.23 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' NZ ' HG21 ' A' ' 13' ' ' THR . 21.0 mtmt -130.0 -40.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.15 110.868 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -142.1 158.43 43.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.117 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 120' ' ' VAL . 2.9 tp -140.07 121.89 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.546 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.9 t-105 -120.37 126.93 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 64.53 110.866 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.646 ' HB3' HG11 ' A' ' 104' ' ' VAL . 50.3 mt -99.95 -175.51 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 45.14 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.457 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.8 tp60 -85.85 135.21 33.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.896 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.2 125.05 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.14 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.19 20.28 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.499 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.646 HG11 ' HB3' ' A' ' 100' ' ' LEU . 9.5 p -116.32 145.32 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 74.2 111.127 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 61.9 mt -143.33 101.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 70.34 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -120.35 90.84 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.922 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 111' ' ' VAL . 70.2 tt0 -53.08 -32.78 48.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.853 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.4 -53.71 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.22 -27.72 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.126 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.16 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.088 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.6 t -73.35 -43.32 56.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.82 -53.75 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.925 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.04 -34.21 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 64.14 111.118 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -67.68 -31.33 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.81 -47.79 76.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -80.75 -24.23 38.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 72.52 111.154 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.98 -5.39 36.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 60.31 112.488 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.674 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.88 163.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 61.32 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.43 95.48 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.853 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.489 HG23 HD23 ' A' ' 98' ' ' LEU . 6.6 p -91.65 143.28 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.055 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.546 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.7 t -144.71 109.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.44 111.108 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.79 177.19 4.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.931 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 t70 51.95 35.01 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 62.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -144.79 159.32 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -158.3 133.09 5.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 75.33 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.59 37.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 52.35 112.318 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.45 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.32 111.15 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.838 0.351 . . . . 74.54 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.97 -36.98 65.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.155 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.12 44.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 60.13 112.526 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -75.86 -30.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 65.1 111.135 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.32 -26.97 26.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.941 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.542 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -87.88 -21.65 24.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 71.41 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 t -84.14 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -128.34 143.52 51.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.23 111.153 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.51 103.93 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -139.48 143.46 37.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 63.04 111.133 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 41' ' ' TYR . 3.8 mp -130.26 118.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 62.11 111.12 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -112.85 124.95 53.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.12 111.088 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.842 HD23 ' HB2' ' A' ' 21' ' ' ALA . 1.3 tp -94.28 135.45 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.88 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.73 117.5 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.112 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.23 74.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.12 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.842 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -110.03 155.07 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 74.32 111.11 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -168.62 -169.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -95.0 44.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -109.91 83.41 2.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 74.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 74.52 112.374 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -97.34 24.82 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -132.43 159.53 71.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.55 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.8 -14.39 35.89 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 64.42 112.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -26.21 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.889 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.52 -46.72 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.912 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 16.4 ptp180 -53.44 -34.05 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.24 110.828 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 77' ' ' PHE . 97.5 t -77.32 -36.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 60.44 111.092 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ttt -57.81 -63.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.17 -22.31 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.923 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.0 -51.37 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 16' ' ' ILE . 97.1 mt -64.06 -35.65 81.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.935 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.62 -37.92 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.76 -55.84 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -59.45 -25.37 64.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 71.25 0.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 53.34 112.528 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 33.0 m-85 -136.45 168.89 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 72.42 110.9 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -89.79 103.74 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.798 HG12 ' HD3' ' A' ' 45' ' ' PRO . 93.1 t -100.25 130.08 50.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 73.52 111.128 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mt -129.42 79.37 74.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 73.2 111.169 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.798 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.72 149.38 67.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 75.52 112.396 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.13 121.75 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 75.23 111.1 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.578 ' HB2' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -146.73 151.87 43.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 74.33 110.863 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.86 31.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 44.43 112.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -106.54 -26.36 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.918 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 47' ' ' SER . 10.7 m -89.01 11.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.12 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.41 82.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.09 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 2.77 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 63.15 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -121.59 159.34 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 74.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.54 111.14 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.38 110.41 21.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 63.3 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt 59.49 20.62 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.23 -9.68 54.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 62.41 112.493 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.7 123.89 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 62.02 110.896 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -60.83 129.16 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.75 172.06 43.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 75.42 112.477 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -156.23 136.66 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 72.03 110.943 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -57.94 -25.18 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 72.44 111.047 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -172.59 164.4 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.115 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 93' ' ' ILE . 4.1 pp -64.71 -15.45 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.885 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 12.05 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.55 111.094 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -112.08 -20.84 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.866 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -86.0 132.91 42.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 72.12 111.093 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.74 -42.69 3.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.719 2.279 . . . . 63.23 112.357 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.03 151.76 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 71.5 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -101.74 133.07 47.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.884 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.3 p -74.09 144.13 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.137 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -95.14 -33.92 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.797 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.2 ttp -139.8 111.64 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.405 HG22 HG11 ' A' ' 71' ' ' VAL . 24.0 t -88.6 123.62 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.102 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -111.23 121.11 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.04 110.879 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -107.49 116.55 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.22 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 32' ' ' VAL . 66.8 m-85 -120.07 -9.09 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -51.32 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -156.08 179.52 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 73.03 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.3 p -73.88 -56.09 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 54.33 110.867 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.3 -28.37 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 53.12 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.69 -26.58 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.093 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -42.01 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 63.23 111.073 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -66.24 -53.75 33.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.72 -39.92 77.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.1 112.472 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 82' ' ' ALA . 76.8 t -75.33 -35.92 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 73.35 111.155 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.3 48.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.12 111.143 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -59.28 -42.09 90.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.881 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.803 ' HB3' HD21 ' A' ' 64' ' ' LEU . 4.7 mt-10 -60.42 -46.56 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 65.25 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.713 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.35 -50.05 71.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.123 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.39 -32.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.159 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.9 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 43.55 111.103 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.029 HD13 HD13 ' A' ' 64' ' ' LEU . 33.0 pt -74.15 -30.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.108 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.04 60.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.713 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -69.61 178.17 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 61.21 111.111 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.29 -34.48 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 60.2 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.472 ' OG1' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -149.05 157.88 43.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 53.14 111.169 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.6 tp -138.76 132.47 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 65.34 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.4 t-105 -129.96 142.88 50.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 63.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 122' ' ' MET . 23.3 mt -119.4 -173.86 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.91 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.655 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.7 mm-40 -80.36 169.55 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -86.89 133.05 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.931 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.83 -12.24 68.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.488 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 101' ' ' GLN . 10.6 p -90.19 141.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 41.13 111.147 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.7 mt -135.48 105.4 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 62.22 111.121 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.07 90.26 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 111' ' ' VAL . 22.1 tt0 -60.72 -36.09 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -40.9 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 61.53 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.76 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.047 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.769 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -69.97 -33.85 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 44.03 111.113 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.7 t -76.12 -45.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.27 -35.11 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 63.21 110.884 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -86.08 -30.65 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 51.33 111.075 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.98 -33.05 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.835 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.79 -35.15 76.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.885 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.3 -24.05 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 64.15 111.141 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.13 -10.87 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 71.55 112.52 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.48 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -51.81 160.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 73.01 110.951 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -104.52 94.88 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.823 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -92.44 134.14 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.095 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.467 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -137.56 108.11 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.088 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 100' ' ' LEU . 1.2 ptt? -107.29 -178.58 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.896 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.65 34.7 16.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 70.45 110.835 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -148.02 137.54 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.63 ' HB3' HD12 ' A' ' 102' ' ' LEU . 12.3 t -125.57 129.06 24.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 52.44 110.842 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -15.08 36.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.278 . . . . 73.52 112.366 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 43.41 111.106 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.096 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 72.2 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.92 -37.12 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.64 -34.3 44.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 75.51 112.507 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -75.73 -29.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.911 0.386 . . . . 73.53 111.177 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.4 -27.15 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 63.05 110.944 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.0 -21.43 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.108 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -84.15 -67.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.862 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.37 141.06 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -114.84 103.7 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.8 125.52 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.108 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 41' ' ' TYR . 4.4 mp -115.51 134.96 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 61.45 111.104 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 70.42 111.144 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 120.72 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' HA ' HG12 ' A' ' 46' ' ' VAL . 67.8 t -90.12 114.22 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 44.04 111.14 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 65.92 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 34.03 112.453 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 45' ' ' PRO . . . -105.99 107.2 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 72.12 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.38 -168.82 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.82 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -92.43 43.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.15 110.818 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -109.65 84.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 74.25 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.42 18.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 71.41 112.296 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.49 25.5 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 72.25 110.851 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -129.6 160.15 66.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 75.34 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.8 Cg_endo -69.8 -16.39 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 63.25 112.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -77.49 -27.96 52.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 45.31 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.71 -44.93 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.89 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.8 ptm180 -53.19 -31.82 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.877 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 77' ' ' PHE . 90.7 t -77.08 -41.23 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.114 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.743 ' HG3' HG11 ' A' ' 43' ' ' VAL . 24.3 ttp -54.81 -60.14 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.862 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.08 -22.45 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.06 -48.44 62.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 16' ' ' ILE . 88.5 mt -70.75 -35.1 72.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 HD13 ' A' ' 56' ' ' LEU . 45.9 mt -65.8 -38.92 90.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.55 -46.47 38.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.891 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -56.92 -25.3 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.85 53.4 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 34.54 112.512 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.598 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.5 m-85 -133.26 176.25 8.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.383 . . . . 65.21 110.928 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.39 114.19 28.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG11 ' HG3' ' A' ' 33' ' ' MET . 58.4 t -105.32 124.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 42.23 111.166 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mt -113.99 77.61 3.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.612 0.72 . . . . 72.42 111.122 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.679 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.73 145.74 58.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 61.54 112.363 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 46' ' ' VAL . 12.4 p -135.42 122.36 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.153 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.4 151.77 40.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 32.55 110.879 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.735 2.29 . . . . 75.12 112.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -106.77 -26.6 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.94 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 47' ' ' SER . 15.1 m -88.91 10.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.3 82.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 42.34 111.107 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.73 1.2 6.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 54.14 112.488 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 156.29 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 63.55 110.916 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.93 108.95 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 54.01 111.107 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 113.93 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.927 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.529 HD13 HD12 ' A' ' 37' ' ' LEU . 4.6 mt 57.04 25.43 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.13 65.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.497 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.72 121.37 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 71.25 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -61.87 131.15 48.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.51 42.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.508 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -155.69 136.84 13.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 73.31 110.895 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.16 -37.64 77.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.081 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.8 t -154.3 166.07 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.125 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 89' ' ' GLU . 4.0 pp -68.2 -15.26 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.883 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.87 11.74 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.103 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -117.93 -13.62 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.3 p -99.15 104.72 27.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.05 111.114 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.07 24.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.733 2.289 . . . . 73.14 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.71 126.6 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.74 117.35 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.02 145.41 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 73.11 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.03 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.899 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.4 tpp -141.94 127.32 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.2 t -106.53 97.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.23 133.41 42.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.852 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.58 109.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 32' ' ' VAL . 83.6 m-85 -124.97 -1.92 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.838 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -51.77 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -157.0 177.61 11.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.5 m -74.95 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.45 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.13 -28.54 70.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.52 -25.01 50.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.069 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.1 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.058 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -68.12 -52.47 34.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -36.35 76.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 63.4 112.455 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 82' ' ' ALA . 91.3 t -80.68 -32.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 73.12 111.158 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.611 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -62.7 -49.15 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.061 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB3' HD21 ' A' ' 112' ' ' LEU . 14.4 pt20 -57.33 -43.29 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.683 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.1 mt-10 -65.7 -45.76 81.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.848 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -48.16 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 50.05 111.123 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.61 -30.55 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.42 111.101 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.16 -49.89 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.45 111.025 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 64' ' ' LEU . 36.1 pt -71.27 -30.24 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 52.44 111.128 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.12 55.82 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.448 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.81 177.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.51 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -121.6 -34.62 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -153.23 158.39 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 64.3 111.162 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.9 tp -135.38 129.39 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.655 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.0 t-105 -129.5 129.63 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.917 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD12 ' HG2' ' A' ' 122' ' ' MET . 34.9 mt -112.13 -169.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 44.25 110.893 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -77.73 149.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.6 tp -77.27 137.05 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.2 -22.24 40.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.509 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.89 149.92 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 73.32 111.125 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.0 mt -141.38 112.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.33 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.34 95.52 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.3 pt-20 -51.18 -48.34 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -47.45 85.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.952 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.82 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 60.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.474 ' HB2' ' SD ' ' A' ' 122' ' ' MET . . . -74.31 -46.7 39.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.069 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.0 t -59.76 -39.98 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.11 111.155 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.3 tp -54.04 -58.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 53.03 110.9 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.23 -27.97 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 24.24 111.066 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -66.79 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 70.33 110.926 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.46 -35.82 80.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.927 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.52 -24.12 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.15 111.116 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.78 -8.6 54.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 53.13 112.486 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.6 tp -52.1 149.46 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 72.3 110.907 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 m -81.82 97.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.98 123.46 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 60.4 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.655 HG11 ' CH2' ' A' ' 99' ' ' TRP . 60.1 t -121.93 105.69 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.05 111.173 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.478 ' HG2' HD12 ' A' ' 100' ' ' LEU . 33.1 mtm -104.25 178.46 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.901 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 41.65 40.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HD12 ' A' ' 102' ' ' LEU . 54.7 mmm-85 -150.27 133.39 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.8 t -136.57 129.45 17.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 72.51 110.906 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 2.259 . . . . 74.23 112.369 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.33 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.105 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.094 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.856 0.36 . . . . 44.22 111.153 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.09 -38.9 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.102 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.568 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.86 -32.96 47.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.471 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.484 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.5 mp -75.25 -30.86 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 73.54 111.175 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.28 -27.79 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.568 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.4 t -86.61 -21.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 54.02 111.149 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 51.4 110.889 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 144.65 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 52.02 111.171 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -117.11 103.79 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.618 HG22 HG23 ' A' ' 71' ' ' VAL . 98.9 m -139.6 143.64 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 41.44 111.148 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -127.28 135.09 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -121.45 132.05 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 62.4 111.153 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.5 tp -110.55 135.56 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.899 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.53 133.32 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 64.42 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.11 51.01 5.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 62.11 112.477 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -87.39 139.42 30.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 63.23 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -157.4 -169.31 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.32 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.12 41.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 62.42 110.837 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -110.24 82.96 2.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 73.31 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.93 17.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 72.05 112.349 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -98.65 26.41 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.851 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -131.6 160.07 69.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 63.4 110.874 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.74 -16.38 37.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.722 2.281 . . . . 60.41 112.359 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.21 -27.68 53.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.816 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.58 -44.67 11.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 73.43 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -30.39 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.857 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 77' ' ' PHE . 92.7 t -77.1 -35.87 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 52.34 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 37' ' ' LEU . 2.5 tpt -61.44 -60.23 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.872 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -24.87 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 61.34 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.46 31.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 60.31 110.919 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 16' ' ' ILE . 58.6 mt -67.06 -36.99 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 65.44 110.889 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.734 HD12 HD22 ' A' ' 56' ' ' LEU . 25.9 mt -70.06 -28.94 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.926 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.77 -55.97 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.861 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -57.69 -25.24 60.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 45.14 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.68 43.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -107.19 172.88 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 55.32 110.928 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -101.93 110.29 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG11 ' SD ' ' A' ' 33' ' ' MET . 18.8 t -107.1 147.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.122 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -135.57 80.45 44.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.631 0.729 . . . . 75.33 111.146 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.14 39.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 64.45 112.375 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -133.52 121.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 70.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.72 151.95 43.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 71.14 110.819 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.76 26.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 64.42 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -107.0 -31.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 70.24 110.919 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 m -81.48 0.48 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 61.12 111.116 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -63.65 90.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.14 111.067 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.48 1.61 10.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 63.24 112.492 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -116.54 177.75 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 63.24 110.897 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.26 103.61 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.157 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -88.86 112.84 23.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.899 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 37' ' ' LEU . 4.7 mp 56.46 29.44 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.13 -3.89 77.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 44.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 43.4 mm-40 -94.68 126.34 39.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 62.35 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -67.38 119.24 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 64.13 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.23 171.08 43.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 44.23 112.468 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -155.95 135.7 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 71.22 110.91 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.11 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -150.38 147.23 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.3 111.142 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.05 -15.2 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.973 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.78 12.68 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.106 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -112.8 -20.62 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.89 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -79.66 132.95 59.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 54.55 111.173 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.72 -42.56 3.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 62.43 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.08 130.94 45.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 54.2 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -91.22 117.54 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 54.02 110.935 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.866 HG21 ' HB2' ' A' ' 17' ' ' ALA . 8.0 p -74.26 144.57 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 54.21 111.133 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 9' ' ' ILE . 7.8 t0 -97.69 -24.14 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.842 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.482 ' H ' HG22 ' A' ' 71' ' ' VAL . 12.6 ttp -139.14 113.52 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 71' ' ' VAL . 72.4 t -97.23 114.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.54 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' OD1' HG23 ' A' ' 16' ' ' ILE . 1.6 m-20 -98.7 129.2 45.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 44.04 110.881 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -116.15 116.4 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 70.42 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.782 ' CE2' HG11 ' A' ' 32' ' ' VAL . 72.1 m-85 -121.32 -6.3 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -51.1 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.91 -179.76 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -74.2 -55.2 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.838 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.41 -27.37 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.919 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 71.25 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.27 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.099 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 112' ' ' LEU . 52.8 t-105 -65.36 -54.28 31.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.57 55.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 64.35 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 82' ' ' ALA . 38.4 t -78.51 -38.18 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 61.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -58.71 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.102 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -53.19 -43.13 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.51 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.7 mt-10 -58.42 -43.18 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 60.03 110.893 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -68.36 -38.79 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.4 111.073 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 112' ' ' LEU . 34.4 mt -70.78 -25.24 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.24 111.146 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.6 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 54.11 111.13 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 64' ' ' LEU . 25.2 pt -76.99 -30.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.04 78.72 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -84.16 -173.12 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 41.13 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.96 -38.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.874 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.38 158.29 43.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.148 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 tp -136.51 119.22 16.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.753 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.6 t-105 -118.07 137.79 52.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.945 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 122' ' ' MET . 51.8 mt -110.59 -173.1 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.731 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.5 tp60 -89.41 125.93 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.659 HD22 HD12 ' A' ' 128' ' ' ILE . 2.5 tp -51.75 114.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.07 5.89 16.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 63.11 112.507 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 101' ' ' GLN . 7.2 p -126.37 153.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 72.31 111.121 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.3 mm -137.26 118.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.15 111.15 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 4.3 m120 -121.13 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 61.45 110.878 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 111' ' ' VAL . 29.4 tt0 -58.84 -47.27 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.924 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -53.45 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 74.01 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.91 -30.22 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 111.075 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.86 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 52.42 111.117 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' GLU . 33.0 t -53.68 -43.49 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.133 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -51.32 -58.73 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 65.51 110.93 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.63 -33.65 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 35.12 111.098 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.28 -30.52 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.99 -46.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -74.11 -24.57 59.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.069 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.8 27.07 7.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 45.22 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.23 155.33 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.351 . . . . 54.04 110.908 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -87.62 100.01 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.5 110.921 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.551 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 20.7 t -91.52 143.24 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.085 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.753 HG11 ' CH2' ' A' ' 99' ' ' TRP . 98.3 t -149.64 105.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 54.55 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 100' ' ' LEU . 7.9 ptt? -110.23 -178.37 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 t0 51.18 32.67 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.547 ' HA ' HD12 ' A' ' 102' ' ' LEU . 40.9 mmt180 -152.41 141.29 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 128' ' ' ILE . 31.6 p -127.6 143.98 49.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 74.43 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.13 30.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 71.12 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.07 95.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.154 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.659 HD12 HD22 ' A' ' 102' ' ' LEU . 62.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.159 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 pt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.787 0.327 . . . . 65.24 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.489 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.92 -36.9 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.42 43.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 50.43 112.489 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -75.65 -30.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 52.2 111.141 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.27 -27.18 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.903 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.11 -21.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.116 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 t -84.74 -66.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 61.22 110.835 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -127.56 144.57 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.138 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -116.47 103.97 10.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.1 m -139.52 135.39 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 36' ' ' LEU . 4.2 mp -128.04 129.14 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.101 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -121.64 139.69 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 61.03 111.107 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.97 135.42 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 72.41 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG21 HG13 ' A' ' 86' ' ' VAL . 95.8 t -103.58 127.7 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 52.13 111.094 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.08 60.91 3.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 41.4 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 117.36 28.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 75.23 111.097 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 p -126.77 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 53.3 110.894 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.96 43.34 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 71.22 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -109.71 83.59 2.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.698 . . . . 63.52 110.894 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.21 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 72.43 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -97.6 25.68 5.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 55.33 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -130.49 160.17 67.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.14 110.909 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.81 -15.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 71.21 112.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -27.68 53.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.872 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.63 -45.41 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 72.12 110.912 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 14.3 ptm180 -53.25 -32.64 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.801 HG11 ' CE2' ' A' ' 77' ' ' PHE . 93.6 t -77.23 -36.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 61.42 111.104 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 55' ' ' LEU . 2.2 ttt -57.57 -59.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -66.63 -23.99 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.61 -51.46 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.935 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 HG21 ' A' ' 16' ' ' ILE . 95.4 mt -70.02 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.515 . . . . 74.1 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.5 mt -67.72 -46.71 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.896 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.12 -41.99 80.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 51.24 110.861 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -56.86 -25.42 56.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.941 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 50.93 1.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 73.42 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 16' ' ' ILE . 60.5 m-85 -124.91 -176.18 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 74.33 110.927 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -106.87 112.7 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.857 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 ' HD3' ' A' ' 45' ' ' PRO . 44.9 t -107.73 130.62 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 75.2 111.09 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.6 mt -127.14 76.51 76.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 72.41 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.73 139.62 40.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 71.4 112.319 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -132.02 122.18 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 61.21 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.74 151.5 42.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 71.53 110.838 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.85 24.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.34 112.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -106.28 -33.83 7.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.599 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -76.67 -10.43 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.148 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.35 104.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 53.52 111.082 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.4 25.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 71.52 112.511 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -136.41 169.83 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 65.11 110.952 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.71 114.71 25.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.154 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' HE1' ' A' ' 33' ' ' MET . 14.9 tp -106.4 112.0 24.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.925 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.8 mp 58.48 22.73 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 63.45 110.892 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.55 -5.57 70.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 73.21 112.514 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -94.71 128.68 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 71.23 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -58.3 141.13 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.893 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.599 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -94.46 153.44 21.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.615 ' CG ' HG22 ' A' ' 67' ' ' VAL . 13.4 m-85 -144.49 133.95 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 73.33 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.46 -33.22 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 64.42 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.6 p -149.21 146.09 27.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.165 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.29 -32.05 68.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.914 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -74.8 -4.66 38.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 61.34 111.085 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.34 -5.82 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG22 ' CG ' ' A' ' 61' ' ' TYR . 22.2 t -89.16 132.39 37.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.721 . . . . 73.11 111.106 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.65 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 70.3 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -77.68 155.34 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.9 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -103.09 128.62 49.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.939 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 17' ' ' ALA . 7.2 p -74.37 137.46 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.23 111.141 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -93.1 -31.07 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -137.3 112.17 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 60.11 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 71' ' ' VAL . 81.2 t -87.63 129.86 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.4 111.158 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.52 112.43 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 83' ' ' ALA . 22.3 t -109.25 105.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.091 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.801 ' CE2' HG11 ' A' ' 32' ' ' VAL . 24.1 m-85 -125.87 -0.81 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.03 110.9 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -52.0 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -153.48 177.39 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.845 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 p -71.12 -54.87 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.02 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.94 -26.73 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.64 -24.72 50.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 71.45 111.092 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HA ' HG11 ' A' ' 76' ' ' VAL . . . -51.69 -38.83 56.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.12 111.111 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -69.92 -53.49 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.07 82.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 64.34 112.461 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 19' ' ' VAL . 91.1 t -78.86 -28.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 53.15 111.144 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.622 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -66.28 -51.5 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 71.01 111.112 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.421 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.5 pt20 -57.4 -42.57 82.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.883 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.98 -47.01 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 52.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -65.21 -42.7 93.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.093 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD22 ' A' ' 118' ' ' LEU . 37.4 mt -69.41 -30.38 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.33 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.98 78.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.101 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.484 HG22 ' HB2' ' A' ' 65' ' ' ALA . 50.9 pt -77.45 -24.68 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 64.43 111.133 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.63 63.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 62.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.66 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -79.51 179.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 72.32 111.121 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -128.64 -39.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.925 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.61 157.8 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 45.34 111.164 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.1 tp -138.88 126.12 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.634 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.3 t-105 -125.14 135.11 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.33 110.922 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 76' ' ' VAL . 63.0 mt -108.95 -174.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.914 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.0 tp-100 -81.24 149.89 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 120.39 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.41 28.05 7.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.517 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.28 149.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 65.03 111.16 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.79 101.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 7.5 t-20 -120.6 88.66 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.891 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 111' ' ' VAL . 17.1 pt-20 -51.53 -47.96 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.27 -46.62 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.912 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -64.37 -28.02 69.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.06 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.57 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -77.07 -40.89 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.168 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 87' ' ' ALA . 28.4 tp -53.18 -47.86 68.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.877 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -71.26 -30.68 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.135 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -71.62 -30.15 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.855 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.23 -35.0 77.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.868 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.7 -24.14 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 61.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.33 -13.14 30.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 72.25 112.492 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.66 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.3 tp -51.74 149.51 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 73.02 110.882 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 99.89 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.65 133.08 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.117 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.634 HG11 ' CH2' ' A' ' 99' ' ' TRP . 46.0 t -133.93 110.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -111.27 177.35 4.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.876 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.3 t0 57.16 29.92 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -151.96 154.18 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.0 t -155.65 129.03 4.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 64.14 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 72.24 112.352 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.5 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.085 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 72.35 111.126 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.825 0.345 . . . . 75.45 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.109 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.35 -35.16 43.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 53.35 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -75.39 -30.11 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.42 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.51 -25.98 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.33 110.955 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -89.51 -19.76 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.157 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 t -86.35 -67.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 m -128.56 139.8 52.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 55.23 111.184 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.848 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.433 HG22 HG23 ' A' ' 71' ' ' VAL . 58.5 m -141.16 122.45 14.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 45.32 111.145 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -115.5 137.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -128.25 124.87 37.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.119 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 21' ' ' ALA . 1.7 tt -95.77 135.43 37.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 62.03 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG21 ' CG1' ' A' ' 86' ' ' VAL . 94.4 t -95.76 130.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 73.52 111.143 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 58.71 10.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 70.41 112.46 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.58 105.61 17.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 73.45 111.095 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t -112.53 -169.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.858 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.45 46.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 71.52 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -109.74 83.87 2.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 74.22 110.88 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.24 18.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.69 2.26 . . . . 74.52 112.336 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.91 22.69 8.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.877 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -130.3 160.42 65.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 65.33 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.99 35.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 50.52 112.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.03 -25.65 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 54.42 110.851 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.498 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.7 t80 -88.76 -46.11 9.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 75.34 110.958 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -53.71 -35.27 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.909 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG21 ' CD2' ' A' ' 77' ' ' PHE . 26.7 m -77.11 -28.7 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.105 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.4 ttp -66.0 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -61.0 -24.03 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -50.51 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.936 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 16' ' ' ILE . 91.4 mt -69.75 -29.51 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 60.11 110.934 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.6 mt -66.32 -46.75 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.72 -41.51 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 51.44 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -56.57 -24.81 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 70.53 110.936 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.63 3.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.475 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 53.7 m-85 -116.12 154.64 29.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 73.34 110.902 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.53 117.09 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.867 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 95.6 t -110.07 132.49 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 70.11 111.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.21 79.74 72.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.73 . . . . 74.1 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.72 112.78 3.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.42 112.41 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 61' ' ' TYR . 48.3 t -105.71 122.09 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 70.34 111.14 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -146.85 151.96 43.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.736 0.779 . . . . 61.55 110.833 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 61.43 112.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.41 -27.87 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.03 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' SER . 14.1 m -86.91 8.35 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.104 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -68.72 83.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.135 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 5.3 6.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 72.53 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -123.19 177.48 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 104.31 8.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.086 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.34 118.11 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.9 mp 58.77 22.22 9.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 52.34 110.912 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.09 69.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.439 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -94.91 129.18 42.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 74.22 110.936 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -62.03 130.16 44.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.925 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.56 167.6 35.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 75.33 112.525 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.6 m-85 -152.93 137.65 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 61.53 110.902 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.61 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.18 -25.91 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 t -170.19 156.77 6.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.166 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.145 HD13 HD13 ' A' ' 93' ' ' ILE . 4.0 pp -64.47 -15.47 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.86 14.2 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 34.3 111.126 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.72 -21.19 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.853 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -91.66 132.98 31.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 74.43 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.4 Cg_endo -69.78 -42.31 3.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 75.42 112.381 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.89 146.13 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -100.42 126.06 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 9.8 p -82.13 140.64 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 52.1 111.177 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.8 -26.85 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.896 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.438 ' HE2' ' HB2' ' A' ' 99' ' ' TRP . 7.8 tpt -134.79 132.21 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.8 111.85 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.118 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -93.38 124.35 37.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.869 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.3 t -117.71 102.66 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 53.33 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.721 ' CD2' HG21 ' A' ' 32' ' ' VAL . 80.7 m-85 -120.09 -1.27 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -156.07 177.97 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.2 t -75.08 -54.51 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.12 -28.01 69.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.42 -24.95 64.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 42.21 111.141 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.26 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 44.13 111.11 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.0 t-105 -72.15 -54.59 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.89 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.67 -36.65 86.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 61.34 112.532 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.73 ' CG1' HG21 ' A' ' 19' ' ' VAL . 20.8 t -75.27 -34.87 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 43.22 111.12 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.23 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.11 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -51.94 -45.28 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.73 -44.68 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.59 85.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 42.33 111.058 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.763 HD12 HD22 ' A' ' 112' ' ' LEU . 45.6 mt -69.65 -37.99 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.12 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.26 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 43.24 111.117 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.145 HD13 HD13 ' A' ' 64' ' ' LEU . 37.4 pt -73.7 -29.32 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 75.04 111.077 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.42 57.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.4 112.497 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.649 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.22 -170.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.41 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -123.11 -35.25 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 m -150.84 158.27 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.11 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.9 tp -140.97 134.13 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 54.33 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 121' ' ' VAL . 5.0 t-105 -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.911 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.8 mt -121.6 -173.7 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.901 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.726 ' O ' HG12 ' A' ' 104' ' ' VAL . 10.2 tp60 -79.17 157.89 27.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.895 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.26 133.21 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.955 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.53 -14.9 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 61.03 112.465 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 101' ' ' GLN . 8.7 p -90.61 148.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 64.13 111.134 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.34 107.61 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.131 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 18.2 t-20 -115.93 91.0 3.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 54.21 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.73 ' O ' HG23 ' A' ' 111' ' ' VAL . 46.1 tt0 -51.62 -37.68 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.922 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -52.75 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.32 110.927 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.47 -27.1 46.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.43 111.126 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.44 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.066 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.8 t -66.27 -43.63 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.16 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.63 -52.31 48.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.51 -29.14 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.095 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -33.61 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.35 110.923 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.854 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -78.28 -24.23 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 60.1 111.075 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.2 12.13 49.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 62.52 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -70.38 159.66 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 73.43 110.86 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.1 t -92.26 96.86 10.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.824 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -97.0 122.6 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 99' ' ' TRP . 39.3 t -124.58 105.78 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 52.53 111.111 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.685 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -109.6 -177.93 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.921 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 51.91 36.25 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.878 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.0 mtt180 -146.81 138.46 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 102' ' ' LEU . 7.0 p -117.24 117.98 36.17 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.32 110.945 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -17.54 37.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 61.21 112.35 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.205 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.857 0.36 . . . . 70.05 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.0 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 63.21 111.078 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.95 -32.42 49.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 74.2 112.498 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -75.91 -35.07 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 71.33 111.165 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.51 -30.05 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 64.52 110.921 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.539 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -83.42 -24.49 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.52 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.0 t -82.1 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.824 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -128.26 141.92 51.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.63 104.33 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.4 m -139.17 128.86 24.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.159 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -116.95 131.8 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.55 111.112 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.31 141.52 51.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.32 111.138 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 19' ' ' VAL . 15.1 tp -114.55 134.6 54.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 t -103.58 132.28 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 52.51 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 49.36 45.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.486 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 18' ' ' LEU . . . -85.13 143.37 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 31.43 111.074 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -176.63 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 52.23 110.884 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -92.15 43.23 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -107.67 91.71 7.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.531 0.681 . . . . 73.35 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.42 21.01 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 62.42 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -100.25 23.57 9.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.847 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -120.72 156.9 55.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 73.23 110.891 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.2 Cg_endo -69.7 -23.94 30.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.13 112.395 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -77.21 -19.41 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -85.97 -48.95 8.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 51.53 110.922 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 1.6 ptp85 -53.2 -36.89 61.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 48.7 t -76.6 -33.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 54.21 111.126 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.533 ' SD ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.73 -64.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.873 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.39 64.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.845 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.7 -45.74 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 16' ' ' ILE . 60.4 mt -72.62 -31.33 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 63.3 110.94 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.06 -46.65 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.943 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.4 -33.91 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.14 110.874 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.1 -25.34 66.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 62.33 110.91 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 47.85 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.489 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 16' ' ' ILE . 62.3 m-85 -121.25 -176.7 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 74.21 110.948 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -108.35 110.39 21.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.858 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.748 HG12 ' HD3' ' A' ' 45' ' ' PRO . 47.5 t -104.37 131.83 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 55.12 111.129 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -128.47 77.84 76.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 72.5 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.748 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.7 135.85 31.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 74.24 112.361 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.87 122.02 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 151.71 42.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 73.4 110.858 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 71.42 112.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -106.39 -32.79 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.12 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.73 -4.0 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -59.78 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.086 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.67 17.45 10.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 51.34 112.462 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -136.87 163.72 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 73.33 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -127.57 108.94 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 62.33 111.127 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 135.52 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt 59.23 20.39 8.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 43.53 110.863 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.22 3.75 84.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.14 112.439 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -104.56 135.55 45.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 73.22 110.918 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HA ' HG23 ' A' ' 54' ' ' THR . 21.6 tp60 -73.82 140.86 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.3 153.33 20.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 75.53 112.461 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -139.86 138.16 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 70.22 110.971 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -66.44 -31.75 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 31.44 111.081 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.4 p -147.95 150.63 34.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.162 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.036 HD13 HD13 ' A' ' 93' ' ' ILE . 4.2 pp -67.55 -15.11 63.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.919 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.58 11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.114 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -22.71 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -77.49 133.24 67.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 54.55 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.77 -42.11 3.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 72.1 112.367 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -68.09 118.78 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 137.58 47.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.5 t -88.45 144.94 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.168 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -112.17 -24.74 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.85 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -141.81 111.92 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.99 121.7 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.101 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' OD2' HG23 ' A' ' 16' ' ' ILE . 14.5 m-20 -107.06 130.38 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.901 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 t -109.36 117.0 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 45.25 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 9.2 m-85 -115.36 -20.46 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.846 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -51.53 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.857 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -168.06 177.18 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.35 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p -74.9 -46.63 34.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 70.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.5 -31.71 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 74.31 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -69.72 -27.92 65.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.52 111.09 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.85 -38.88 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -66.78 -54.44 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.913 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.34 -40.24 93.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.733 . . . . 64.34 112.433 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 82' ' ' ALA . 60.8 t -73.62 -37.47 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 72.15 111.121 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.424 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.73 -55.85 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.156 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -56.16 -42.47 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.891 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -45.88 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 60.23 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.821 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.01 -50.14 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 41.52 111.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.21 -26.09 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 61.24 111.113 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.41 -48.53 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 52.33 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.036 HD13 HD13 ' A' ' 64' ' ' LEU . 48.7 pt -74.48 -25.54 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.51 111.161 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.78 51.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.21 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.76 -178.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 54.21 111.085 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -135.59 -41.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.898 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.92 158.18 44.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 tp -140.37 129.71 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.2 t-105 -127.69 129.33 46.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.972 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.688 HD12 ' HB3' ' A' ' 122' ' ' MET . 47.2 mt -105.53 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.917 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.3 149.6 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.859 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.801 HD13 ' HB2' ' A' ' 125' ' ' CYS . 2.1 tp -56.78 141.86 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.3 26.25 70.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.12 112.496 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -122.38 130.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 72.01 111.143 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -136.48 107.52 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -117.08 89.68 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 54.52 110.882 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -53.23 -28.71 28.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -49.48 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.58 -25.4 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 43.52 111.108 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.676 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -72.53 -52.07 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.087 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.53 -33.07 55.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 63.41 111.15 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 87' ' ' ALA . 20.8 tp -54.62 -28.18 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.39 -39.9 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 53.43 111.14 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -53.96 -39.17 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -53.58 -29.26 36.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.03 -24.12 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 53.34 111.081 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.98 -8.4 36.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 34.53 112.474 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.8 151.08 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 74.25 110.896 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -90.22 100.05 12.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' A' ' 110' ' ' ALA . 12.3 p -91.72 132.1 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.128 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 99' ' ' TRP . 38.7 t -139.0 108.46 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.112 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.688 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.53 172.88 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.871 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.437 ' CA ' HD12 ' A' ' 102' ' ' LEU . 23.6 mmt180 -147.91 137.46 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.827 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.801 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -126.07 136.16 28.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 54.34 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -22.64 32.15 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 64.01 112.366 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.57 88.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.108 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.112 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 pt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.883 0.373 . . . . 74.14 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.78 -36.25 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 41.15 111.14 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.36 -34.69 44.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 50.12 112.479 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.85 -30.05 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 74.13 111.132 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.21 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.918 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.54 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -89.28 -20.9 23.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 75.5 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -84.48 -67.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -128.47 144.69 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.183 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -114.05 103.58 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.584 HG22 HG23 ' A' ' 71' ' ' VAL . 87.7 m -139.88 143.54 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 63.01 111.15 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.49 132.86 67.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.135 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -116.66 136.72 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.14 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.874 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.6 tp -117.64 134.48 54.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 73.41 110.906 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG21 ' CG1' ' A' ' 86' ' ' VAL . 33.0 t -107.64 120.63 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.123 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.72 66.18 1.47 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.499 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.874 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -104.21 88.06 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 75.42 111.074 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 m -98.53 -169.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.876 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -92.72 43.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 74.24 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -109.78 83.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 72.52 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.26 18.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 72.22 112.377 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -97.91 24.81 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.836 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -128.88 160.1 65.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 72.01 110.872 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.52 37.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 44.21 112.337 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -26.74 55.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.895 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.62 -47.96 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 71.21 110.953 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -53.66 -33.76 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 12.2 p -77.24 -32.22 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 61.02 111.134 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.0 ttp -62.71 -62.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.895 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -25.94 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.861 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.85 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.943 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' CD1' HG21 ' A' ' 16' ' ' ILE . 93.0 mt -67.17 -41.22 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.35 110.952 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 43' ' ' VAL . 21.5 mt -63.63 -46.75 84.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.948 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.23 -55.08 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.895 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -25.15 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.907 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 69.04 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 75.51 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.92 165.02 28.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 75.14 110.927 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -91.54 115.47 28.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.893 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.66 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.0 t -112.31 138.04 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.8 mt -130.75 75.75 78.3 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 73.31 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.66 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.68 137.9 36.81 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 65.45 112.394 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -133.43 122.4 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 62.23 111.151 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 152.31 45.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 53.32 110.85 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.6 24.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 75.01 112.359 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -33.29 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -79.94 -5.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.02 111.168 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.41 100.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.41 111.127 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.9 19.66 16.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 51.14 112.475 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -130.73 177.72 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 73.41 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.6 123.68 40.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.02 111.19 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.49 108.83 17.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 54.42 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp 59.0 21.84 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 60.25 110.934 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.33 1.35 56.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 43.43 112.525 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.424 ' OE1' HD11 ' A' ' 37' ' ' LEU . 6.6 mp0 -97.08 135.66 38.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 75.14 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -73.28 119.08 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.37 163.35 52.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.54 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -154.71 136.53 14.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 74.52 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.544 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.17 -26.17 66.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 62.12 111.137 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 t -162.44 153.39 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.179 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.949 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -64.7 -15.41 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 60.04 110.879 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 12.4 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 44.54 111.097 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -113.64 -19.92 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.881 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.43 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -84.55 133.24 44.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.13 111.173 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.77 -42.07 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.236 . . . . 71.05 112.387 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -65.07 143.8 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -101.71 127.14 48.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.802 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.3 p -80.17 144.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -30.2 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttp -139.72 118.76 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG22 HG11 ' A' ' 71' ' ' VAL . 87.9 t -100.4 123.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 61.34 111.104 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 16' ' ' ILE . 24.7 m-20 -106.0 141.06 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.867 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.3 t -122.06 116.61 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.738 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 32.0 m-85 -119.69 -9.81 9.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 60.32 110.858 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -51.66 -64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 64.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -176.17 176.84 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 p -66.92 -55.76 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.855 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -57.05 -27.8 62.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.854 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.56 -34.56 72.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.081 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.4 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -68.49 -53.45 23.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.5 110.93 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.97 -33.01 84.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 64.32 112.515 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 82' ' ' ALA . 86.0 t -79.36 -36.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 71.24 111.144 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -61.97 -49.17 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 51.2 111.107 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -57.89 -43.36 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.878 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.76 -47.34 83.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -59.19 -50.23 74.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.11 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.71 -28.02 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.083 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.78 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.4 111.066 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.949 HD13 HD12 ' A' ' 64' ' ' LEU . 48.8 pt -72.47 -25.54 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.157 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.89 52.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 71.11 112.447 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.27 -176.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 63.21 111.089 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -134.51 -41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.867 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 158.23 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.144 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.622 HD23 HG23 ' A' ' 120' ' ' VAL . 7.3 tp -139.91 134.08 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.497 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -130.92 138.09 49.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.924 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.699 HD12 ' CB ' ' A' ' 122' ' ' MET . 29.6 mt -115.48 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.93 145.17 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -70.61 132.53 45.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 50.52 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.39 -20.21 50.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 63.43 112.465 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.13 146.55 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 62.53 111.118 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.1 mt -131.86 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.143 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.59 95.66 4.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.05 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.55 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -67.91 -49.04 64.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.33 -25.32 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.11 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -70.51 -52.14 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 65.53 111.111 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.41 -32.88 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.115 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 22.0 tp -54.66 -27.81 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -35.09 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.15 111.04 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.78 80.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.21 110.85 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.74 -26.66 46.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.12 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.53 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.7 -11.72 32.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.523 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.639 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.62 150.42 3.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 74.32 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -88.21 99.88 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 52.14 110.866 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -92.7 133.53 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.108 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG11 ' CH2' ' A' ' 99' ' ' TRP . 35.6 t -139.11 105.87 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.125 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.699 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -108.48 -178.21 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.2 t0 52.07 35.37 16.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.874 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -151.63 135.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.11 110.922 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.7 t -132.93 129.01 20.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 72.53 110.884 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -14.56 36.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.286 . . . . 64.44 112.331 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.93 91.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.02 111.11 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.2 111.157 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 9' ' ' ILE . 8.1 pt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.85 0.357 . . . . 74.15 111.128 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.473 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -35.47 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 50.44 111.116 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.566 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -31.53 54.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.497 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.1 mp -75.82 -30.29 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 71.25 111.157 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.26 -28.06 25.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.933 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.566 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -86.42 -22.32 26.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -88.7 -68.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -128.34 113.76 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.34 111.111 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -92.33 104.27 16.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 64.1 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -139.25 143.42 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.35 111.139 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.73 138.4 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.171 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -123.66 119.5 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 130.4 36.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.73 126.7 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.97 30.4 38.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.756 . . . . 70.53 112.488 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 108.27 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 71.05 111.064 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -118.34 -169.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.847 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.18 43.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.877 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -109.85 83.5 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 70.51 110.885 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 63.34 112.361 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -100.04 24.06 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.843 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 160.08 61.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 60.3 110.882 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.73 -16.15 37.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 62.02 112.345 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.23 -26.27 52.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.48 -46.15 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.958 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 6.1 ptp180 -53.35 -32.57 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 77' ' ' PHE . 96.7 t -77.0 -39.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 64.14 111.08 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.0 ttm -55.33 -60.75 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.921 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -64.37 -22.4 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 74.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.21 -47.21 58.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.708 ' CD1' HG21 ' A' ' 16' ' ' ILE . 74.4 mt -70.49 -30.03 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.725 HD12 HD13 ' A' ' 56' ' ' LEU . 11.0 mt -67.67 -46.8 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.893 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -32.42 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.904 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -63.77 -25.32 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 45.52 110.907 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 32.69 3.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.445 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -110.2 167.62 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.954 0.407 . . . . 73.12 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -99.6 88.88 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 54.2 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.519 HG22 HD21 ' A' ' 37' ' ' LEU . 10.6 m -74.71 145.26 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.127 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -136.32 78.56 44.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 71.52 111.132 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.9 31.68 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 75.41 112.316 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.94 122.26 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.3 111.124 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.37 152.0 45.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.14 110.858 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -8.68 24.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 61.33 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -105.43 -34.44 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.632 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -77.54 -9.79 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.146 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.21 100.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 53.04 111.129 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 17.95 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 63.21 112.502 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.91 177.31 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 74.33 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 108.24 14.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.23 111.113 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 tp -104.69 122.86 46.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 70.02 110.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.725 HD13 HD12 ' A' ' 37' ' ' LEU . 16.8 mt 58.26 24.22 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.902 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.17 -3.22 85.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 41.11 112.496 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -98.48 155.81 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 73.23 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -76.97 140.24 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.632 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -92.16 156.47 23.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.44 112.495 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -145.76 135.79 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.888 0.375 . . . . 74.15 110.945 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.592 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.05 -25.93 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.14 111.082 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 t -169.52 152.77 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD12 HG12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -59.04 -21.47 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.875 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -17.19 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 42.12 111.094 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.65 -31.62 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.852 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 64' ' ' LEU . 90.4 t -50.02 108.33 0.98 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 64.03 111.109 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -45.24 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 65.43 112.375 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -69.86 123.58 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -69.09 119.12 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 73.52 110.855 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' H ' ' A' ' 73' ' ' MET . 8.5 p -75.5 144.58 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.104 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.21 -24.95 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.886 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.521 ' H ' HG22 ' A' ' 71' ' ' VAL . 23.5 ttp -147.65 126.68 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.17 118.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.6 119.75 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.844 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.82 114.1 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 32' ' ' VAL . 50.0 m-85 -131.76 7.4 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.522 HH21 ' HB1' ' A' ' 82' ' ' ALA . 45.1 mtm180 -56.08 -74.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -152.07 179.99 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.84 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 t -74.96 -54.34 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.863 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.522 ' HB1' HH21 ' A' ' 78' ' ' ARG . . . -62.8 -27.36 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.4 64.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.33 111.11 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -65.97 -53.73 35.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 55.3 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.97 -38.96 66.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 44.33 112.485 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.37 -35.66 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 62.01 111.113 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -56.25 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.2 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -52.76 -43.31 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.6 mt-10 -62.44 -40.07 95.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.93 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 113' ' ' ALA . 7.6 mt -74.8 -24.24 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.129 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.41 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.3 111.107 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.56 -31.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.13 111.133 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.45 51.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 64.23 112.445 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -63.97 -174.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 44.52 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -126.9 -38.26 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.916 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.26 158.34 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.43 126.11 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -124.27 130.42 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.24 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.653 HD12 ' HB3' ' A' ' 122' ' ' MET . 36.7 mt -109.42 -170.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.926 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -81.41 148.24 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.7 tp -74.62 131.98 41.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 60.11 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.71 -18.02 41.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.481 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.45 136.04 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.12 111.137 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -127.09 111.18 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 53.53 111.126 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 6.6 t-20 -112.65 87.55 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.72 -43.73 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -70.9 -24.42 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.76 -52.15 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 52.53 111.105 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.62 -33.03 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.25 111.143 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.1 tp -55.2 -27.65 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.54 110.919 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.43 -42.27 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 60.5 111.089 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -54.98 -33.59 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -56.24 -25.72 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.88 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.36 -24.09 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.096 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.34 -13.78 25.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 63.3 112.504 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.87 149.78 4.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 53.1 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -90.61 98.76 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.8 p -91.7 123.69 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 53.22 111.137 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.598 HG11 ' CH2' ' A' ' 99' ' ' TRP . 29.8 t -129.62 105.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 65.1 111.128 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.653 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.72 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.889 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t0 52.1 36.81 19.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.873 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.4 mtt-85 -150.36 134.26 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.9 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 14.0 t -129.4 129.29 23.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 70.34 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.87 37.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 63.14 112.357 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.43 96.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.072 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.1 111.115 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 72.04 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.27 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 70.02 111.106 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.79 -33.76 45.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.1 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.3 mp -75.32 -30.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 74.11 111.137 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 -27.46 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 65.01 110.934 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.57 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.6 t -87.03 -20.95 26.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 63.53 111.142 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.1 t -85.72 -66.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.828 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -128.31 137.63 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.145 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.3 103.53 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 64.33 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.508 HG22 HG23 ' A' ' 71' ' ' VAL . 73.1 m -139.69 126.98 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.4 111.14 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.665 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -117.46 139.72 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 61.34 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.43 131.52 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 51.04 111.066 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 45' ' ' PRO . 15.5 tp -102.39 135.19 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG12 ' HD2' ' A' ' 78' ' ' ARG . 88.6 t -110.43 133.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.112 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.78 45.72 26.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 52.44 112.486 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 108.08 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 32.35 111.094 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m -120.3 -171.26 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.875 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -99.23 46.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 61.23 110.852 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -111.78 78.16 2.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 75.22 110.867 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 1.49 4.36 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 65.15 112.365 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.08 11.36 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.839 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.24 162.0 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 72.2 110.912 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.73 -10.92 29.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.44 112.383 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -27.32 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.855 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.76 -45.98 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.958 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.2 ptp180 -53.31 -34.11 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 73.33 110.828 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 98.9 t -77.42 -37.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.129 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -62.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.883 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -23.15 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.46 -49.9 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 16' ' ' ILE . 78.3 mt -65.51 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.931 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -65.21 -43.5 91.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 70.43 110.916 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.01 -46.16 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -56.82 -25.43 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 62.23 110.933 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 26.64 5.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 74.13 112.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -98.96 -176.25 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 72.03 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.46 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.849 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG12 ' HD3' ' A' ' 45' ' ' PRO . 23.4 t -113.51 124.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 62.43 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.97 78.0 12.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 61.12 111.088 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.635 ' HB3' HD23 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.76 124.12 10.77 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 70.2 112.362 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.8 t -123.16 122.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.128 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.39 151.94 44.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 72.23 110.858 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -9.8 26.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 74.12 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -106.41 -32.75 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.87 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.55 -8.24 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.05 111.138 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.63 101.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 45.12 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.62 18.81 14.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 71.41 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -135.03 177.65 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.15 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.79 110.96 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 61.51 111.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 113.02 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 30' ' ' TYR . 14.0 mt 58.77 21.93 9.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.931 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.08 -4.08 62.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 20.4 112.537 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -94.66 143.42 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 74.24 110.941 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.52 128.79 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 52.55 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.01 153.19 30.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -145.14 136.31 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 75.42 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.94 -33.51 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.058 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -149.09 154.31 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 43.12 111.154 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 1.032 HD13 HD13 ' A' ' 93' ' ' ILE . 4.4 pp -68.02 -15.32 63.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 63.45 110.951 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.78 7.5 30.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 60.32 111.094 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.27 -20.39 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.852 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 68' ' ' PRO . 61.5 t -66.16 133.09 94.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 73.13 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.76 -42.67 3.21 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.262 . . . . 72.11 112.38 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.31 148.83 24.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.89 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -91.91 128.82 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.787 HG21 ' HB2' ' A' ' 17' ' ' ALA . 9.8 p -74.13 144.34 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 71.44 111.11 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD1' HG23 ' A' ' 9' ' ' ILE . 34.0 t70 -92.19 -27.89 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.876 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.489 ' HE2' HG21 ' A' ' 97' ' ' THR . 40.5 ttm -150.99 125.13 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.1 110.853 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.582 HG22 HG11 ' A' ' 71' ' ' VAL . 43.2 t -104.84 123.4 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 61.01 111.147 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.93 142.9 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.98 118.02 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.12 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 18.6 m-85 -116.5 -18.11 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.924 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HD2' HG12 ' A' ' 19' ' ' VAL . 49.1 mtp180 -51.21 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.92 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -169.74 -177.14 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -68.43 -52.27 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 43.04 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.47 -32.58 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.871 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.07 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 71.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.68 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 65.3 111.076 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' TRP . . . . . 0.601 ' CE3' HD12 ' A' ' 112' ' ' LEU . 54.3 t-105 -66.98 -54.19 24.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.917 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.47 -34.69 49.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.42 112.505 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.0 -33.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 72.24 111.118 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.66 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 70.41 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.05 -44.12 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.5 mm-40 -59.55 -40.61 87.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.73 -44.21 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 42.43 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.728 HD12 HD22 ' A' ' 112' ' ' LEU . 38.8 mt -62.93 -26.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.1 -48.75 16.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 65.45 111.075 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 1.032 HD13 HD13 ' A' ' 64' ' ' LEU . 28.5 pt -71.02 -31.06 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.31 111.152 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 43.3 112.485 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.61 -177.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 64.22 111.053 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -133.24 -40.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 73' ' ' MET . 0.7 OUTLIER -134.06 158.52 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.3 111.125 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.1 117.32 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 70.23 110.917 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.4 t-105 -114.15 132.62 56.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.908 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 122' ' ' MET . 62.2 mt -106.72 -174.45 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 54.23 110.933 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.58 143.66 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 65.24 110.953 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.84 139.33 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.89 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.29 16.04 68.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 72.11 112.505 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.42 107.74 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 62.3 111.14 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.496 HG23 ' HG3' ' A' ' 122' ' ' MET . 54.4 mt -115.11 126.62 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.14 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 109' ' ' ALA . 5.9 m120 -111.94 96.63 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.42 110.899 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' VAL . 56.4 tt0 -51.96 -37.1 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -50.26 19.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 106' ' ' ASN . . . -55.72 -27.87 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.43 111.144 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -39.21 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -63.42 -46.65 94.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.077 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.728 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.64 -56.16 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -64.21 -32.19 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 65.42 111.056 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -66.34 -34.41 77.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.863 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -47.09 84.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . 0.548 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -79.9 -24.09 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 62.15 111.113 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.67 -2.17 42.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 70.54 112.466 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.687 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.4 tp -51.92 160.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 74.02 110.939 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.36 95.93 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.42 110.818 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.63 127.32 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.468 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -129.59 110.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 44.41 111.165 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.775 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -105.97 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.886 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 t70 51.78 38.57 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -152.64 140.61 20.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.897 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 149.95 74.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 43.45 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.1 22.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 74.1 112.314 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.84 70.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 mm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.1 111.118 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 pt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.866 0.365 . . . . 65.44 111.13 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.79 -36.49 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 111.065 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -34.98 43.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.474 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.67 -29.83 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 73.35 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.71 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.909 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.534 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.75 -21.38 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.173 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -84.05 -67.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.822 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.34 144.38 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.54 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 103.61 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.845 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.575 HG22 HG23 ' A' ' 71' ' ' VAL . 98.2 m -139.66 143.46 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 72.01 111.15 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.802 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -126.07 138.52 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.11 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.065 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.4 tp -121.61 135.45 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 62.04 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.73 117.15 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.092 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.41 70.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 54.12 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -107.87 99.72 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 54.11 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m -113.86 -172.11 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 54.3 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.15 41.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.843 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -113.82 87.79 13.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 60.24 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.08 20.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 50.3 112.357 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.06 9.05 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -112.48 154.95 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 74.25 110.858 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.72 -19.57 36.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 74.24 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -22.01 53.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.811 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -87.53 -48.97 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.898 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -32.2 49.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 77' ' ' PHE . 94.2 t -77.07 -36.19 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.154 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 56' ' ' LEU . 8.4 tpt -58.07 -58.58 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.909 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -67.54 -20.97 65.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.86 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.9 -49.13 21.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.97 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 16' ' ' ILE . 35.1 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 71.04 110.872 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.05 -44.2 73.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 55.13 110.947 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.66 -45.41 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.856 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -56.49 -25.28 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.907 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.48 60.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 51.42 112.486 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.436 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.3 m-85 -141.79 159.51 42.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.378 . . . . 74.54 110.942 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.0 121.42 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.845 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' SD ' ' A' ' 33' ' ' MET . 16.9 t -118.19 147.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 61.24 111.13 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.66 79.23 59.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 53.44 111.141 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.29 40.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 61.43 112.34 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.42 122.26 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.32 111.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.37 152.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.749 . . . . 53.33 110.812 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -11.71 31.36 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.676 2.251 . . . . 73.44 112.392 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -106.32 -32.07 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.853 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.77 HG23 HD23 ' A' ' 55' ' ' LEU . 5.7 p -77.95 -5.26 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.56 96.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.32 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 9.41 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.473 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.68 154.3 43.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 62.51 110.862 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.13 110.79 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.13 111.177 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.25 112.37 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.911 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 33' ' ' MET . 35.6 mt 62.45 24.33 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.906 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.02 66.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 63.23 112.51 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -95.47 125.58 40.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 65.23 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -58.16 136.29 57.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.909 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.96 164.47 29.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 72.12 112.465 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -153.49 136.88 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 71.43 110.944 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.569 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -68.55 -35.75 77.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.22 111.094 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -150.01 149.39 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.138 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.26 -16.51 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 52.32 110.903 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.1 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.41 111.076 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.92 -37.62 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.895 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 41.3 t -50.64 108.63 1.07 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 65.22 111.135 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.7 -41.99 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 52.45 112.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.46 108.94 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -63.57 122.05 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 72.14 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.859 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.9 p -74.79 144.35 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.136 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.77 -25.36 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 70.24 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.522 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -141.45 113.88 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.729 HG22 HG11 ' A' ' 71' ' ' VAL . 59.9 t -95.66 109.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.137 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.521 ' OD1' HG23 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -88.05 133.44 33.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.848 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.7 113.01 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.03 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.688 ' CE2' HG11 ' A' ' 32' ' ' VAL . 49.2 m-85 -119.88 -9.22 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -51.61 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 62.13 110.827 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -165.49 173.98 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.89 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -63.08 -60.08 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.865 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.14 -28.23 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.88 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 45.22 111.11 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.78 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.057 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.59 -54.44 32.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.31 -43.79 97.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.455 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.6 -23.85 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 71.34 111.13 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.27 -57.98 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.25 111.1 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.503 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.3 pt20 -51.84 -39.53 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB3' HD11 ' A' ' 64' ' ' LEU . 7.1 mt-10 -67.5 -44.35 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.842 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.769 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.096 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.66 -29.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.1 -49.09 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.053 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 64' ' ' LEU . 39.8 pt -70.68 -24.95 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.11 54.53 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 74.33 112.493 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.932 ' HB3' HD11 ' A' ' 118' ' ' LEU . . . -63.41 -173.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 63.23 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -135.42 -41.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 158.35 43.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HB3' HG22 ' A' ' 120' ' ' VAL . 18.7 tp -144.83 102.44 3.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 54.44 110.93 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -94.96 143.04 26.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.914 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.812 HD12 ' HB3' ' A' ' 122' ' ' MET . 41.3 mt -119.63 -171.69 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.953 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.68 152.64 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.909 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -77.3 138.57 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.06 -15.42 62.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 64.02 112.468 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.59 151.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 42.05 111.156 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.27 134.79 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.162 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 3.3 m120 -129.05 87.42 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 55.34 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.6 tt0 -68.55 -47.42 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.43 110.873 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 -48.01 73.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.908 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -69.77 -27.95 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 52.44 111.091 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.28 -38.26 65.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.42 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.4 t -69.13 -50.03 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.12 111.097 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 88' ' ' GLN . 20.1 tp -51.27 -32.03 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 72.51 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.82 -50.09 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 35.52 111.146 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -53.04 -42.55 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -62.52 -25.21 67.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.54 -24.3 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.3 111.101 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.97 -15.72 10.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 61.42 112.487 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.932 HD11 ' HB3' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -58.2 157.99 7.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 63.35 110.899 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.5 t -113.11 94.8 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 98' ' ' LEU . 85.0 t -94.05 143.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 72.31 111.139 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.8 t -136.23 120.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.812 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.19 170.9 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.907 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.2 t70 63.67 33.56 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.2 mtm180 -156.14 135.08 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.91 129.13 15.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 74.11 110.873 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.53 36.2 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 63.31 112.341 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.75 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.095 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.151 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.809 0.338 . . . . 73.11 111.144 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.98 -38.92 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.087 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.559 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.97 -32.93 47.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.54 112.452 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.4 mp -75.24 -31.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 64.22 111.146 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -85.31 -28.41 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 62.53 110.924 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.559 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.2 t -85.57 -21.99 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.44 111.131 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 t -84.36 -66.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 45.21 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -128.43 144.7 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -114.56 103.45 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.914 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 71' ' ' VAL . 86.5 m -139.96 143.65 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.631 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -130.69 133.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.085 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -122.94 123.55 41.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.42 111.098 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 21' ' ' ALA . 4.9 tp -96.01 126.76 41.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 63.24 110.87 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG11 HG13 ' A' ' 86' ' ' VAL . 64.8 t -100.83 114.98 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 70.14 111.127 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.54 62.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 62.42 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.822 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -90.22 122.98 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 54.22 111.07 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -134.38 -176.86 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.884 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.19 44.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.819 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.96 83.46 2.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.529 0.68 . . . . 75.13 110.833 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 64.12 112.289 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.21 26.43 6.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -130.94 159.27 72.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 73.12 110.87 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.82 -17.24 37.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 72.03 112.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -28.41 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 65.4 110.85 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -87.61 -44.02 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 73.04 110.899 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -31.72 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.753 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 96.8 t -77.25 -40.54 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 55.11 111.163 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.464 ' HE1' ' HG3' ' A' ' 58' ' ' GLN . 13.6 tpt -54.86 -61.28 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.98 -21.46 66.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.69 -46.74 44.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.877 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' HG21 ' A' ' 16' ' ' ILE . 63.6 mt -64.43 -43.72 93.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 62.02 110.9 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.73 -46.78 88.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.956 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.17 -54.38 36.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.872 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -56.66 -25.18 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 44.14 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.476 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -113.2 164.84 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 74.21 110.893 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.49 115.24 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 73.44 110.839 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.5 OUTLIER -109.8 144.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.15 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.72 81.44 69.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 72.32 111.128 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.87 13.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 71.31 112.322 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.07 121.81 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 62.21 111.169 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.437 ' CB ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -146.73 151.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 71.23 110.875 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.92 33.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 60.21 112.39 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -106.58 -31.41 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.45 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.437 HG12 ' CB ' ' A' ' 47' ' ' SER . 7.7 p -77.88 -8.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.21 111.107 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.85 102.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.15 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.31 17.97 18.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 42.13 112.542 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -126.24 172.29 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 73.14 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.9 113.93 15.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 54.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.57 117.78 31.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 43.23 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.8 mt 61.97 25.29 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.28 -0.91 84.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 62.04 112.461 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 9.0 mm100 -96.32 138.88 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.55 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.88 143.12 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.03 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.96 164.26 28.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.517 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.623 ' CG ' HG22 ' A' ' 67' ' ' VAL . 17.0 m-85 -152.54 131.86 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 71.34 110.923 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.04 -29.97 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 41.41 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.1 p -148.57 148.68 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 73.3 111.183 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.46 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.892 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ALA . . . . . 0.878 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -77.0 -2.7 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.115 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -6.75 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 54.5 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.623 HG22 ' CG ' ' A' ' 61' ' ' TYR . 23.5 t -87.44 131.87 42.72 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 71.4 111.142 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -43.16 2.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 72.24 112.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.28 147.69 40.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 61.24 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -98.25 122.1 41.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' ALA . 8.3 p -77.12 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.3 111.138 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.38 -23.86 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.869 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.423 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 ttp -146.39 119.74 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG22 HG11 ' A' ' 71' ' ' VAL . 77.7 t -103.57 138.22 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 61.03 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.482 ' OD1' HD12 ' A' ' 18' ' ' LEU . 2.3 p30 -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.821 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 100' ' ' LEU . 21.6 t -131.87 101.43 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.11 111.105 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.753 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 46.8 m-85 -114.97 -5.13 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -51.86 -68.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -163.82 167.95 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.5 p -62.4 -58.19 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.59 -25.33 68.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.864 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -64.45 -24.66 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 75.04 111.082 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.86 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.24 111.113 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -66.66 -54.48 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.05 110.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.51 -34.24 74.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.734 . . . . 65.14 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG13 HG11 ' A' ' 19' ' ' VAL . 90.4 t -83.09 -21.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 70.23 111.122 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.571 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -74.08 -44.67 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -60.91 -43.44 98.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 63.45 110.939 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' OE2' HG13 ' A' ' 86' ' ' VAL . 16.9 pt-20 -67.47 -40.91 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.8 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.31 111.126 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.46 ' CG1' HD22 ' A' ' 118' ' ' LEU . 25.0 mt -69.78 -35.67 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.03 111.108 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.39 -47.06 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.082 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.878 HG22 ' HB2' ' A' ' 65' ' ' ALA . 47.3 pt -70.63 -24.69 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 70.5 111.162 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.84 59.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.483 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.672 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -75.39 -177.85 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 52.05 111.088 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -130.95 -41.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.916 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.94 158.18 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 64.13 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 tp -141.19 109.26 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 32.14 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.58 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.3 t-105 -105.58 139.87 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.868 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 76' ' ' VAL . 57.0 mt -116.35 -173.78 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.01 110.89 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.661 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.1 mm-40 -82.97 163.94 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 51.43 110.921 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.904 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.66 19.1 28.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 75.01 112.54 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.93 147.94 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 64.42 111.104 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 38.9 mt -142.92 107.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.116 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.12 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.8 tt0 -53.23 -39.74 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.895 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.28 94.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.873 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.85 -34.41 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.111 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.503 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -67.91 -33.38 74.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 52.31 111.073 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.3 t -77.49 -40.89 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 87' ' ' ALA . 32.6 tp -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.24 110.928 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -75.89 -34.96 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 65.15 111.074 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.78 -41.04 83.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.898 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -54.1 -28.3 38.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.69 -24.23 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 61.02 111.066 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.58 -12.59 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 72.52 112.525 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.672 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.1 tp -51.55 145.64 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 74.25 110.894 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -87.26 99.54 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.5 p -91.66 132.96 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 71.24 111.102 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.58 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.4 t -134.43 111.33 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.158 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptp -110.09 176.61 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 t70 51.83 37.81 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -145.97 139.33 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.92 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.7 t -131.47 129.01 22.09 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 50.12 110.889 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.8 32.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.298 . . . . 73.01 112.304 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.91 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 51.53 111.111 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.102 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.463 HG23 ' OG ' ' A' ' 119' ' ' SER . 10.2 pt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.862 0.363 . . . . 72.25 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.72 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.121 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.3 -32.28 48.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 50.41 112.501 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.464 HG22 ' OD2' ' A' ' 72' ' ' ASP . 3.8 mp -75.52 -36.59 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 70.51 111.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.2 pp -78.74 -34.5 45.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 60.32 110.91 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -77.57 -27.65 51.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.158 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -79.26 -63.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.46 144.49 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 61.21 111.098 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -119.16 103.87 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.839 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.0 m -139.52 143.28 37.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.121 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.23 132.24 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.131 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -120.61 133.33 55.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.53 111.091 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.8 tp -104.73 135.29 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 53.31 110.922 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 t -106.98 137.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.44 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.22 56.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 70.14 112.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -73.3 110.82 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 63.13 111.083 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t -123.49 -169.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.88 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.82 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.909 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -109.7 84.03 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 72.25 110.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 73.43 112.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.53 20.85 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.92 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -120.42 159.37 48.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 71.32 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.9 Cg_endo -69.77 -21.17 33.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 74.43 112.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -26.78 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 62.21 110.879 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.8 -46.11 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 63.52 110.95 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 26.5 ptt180 -53.57 -35.86 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 65.32 110.884 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 77' ' ' PHE . 34.7 m -77.29 -30.03 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.14 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.462 ' HG3' HD22 ' A' ' 18' ' ' LEU . 7.0 ttm -61.4 -57.87 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.867 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -70.25 -23.26 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.37 -47.16 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.934 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.6 mt -68.34 -34.53 76.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' HG21 ' A' ' 43' ' ' VAL . 17.8 mt -67.35 -46.13 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.948 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -52.01 56.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -56.52 -24.94 49.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.911 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.09 59.02 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 62.11 112.509 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -121.23 176.92 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 72.33 110.906 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -100.33 107.25 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.79 HG12 ' HD3' ' A' ' 45' ' ' PRO . 46.7 t -106.38 134.17 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.3 mt -128.87 76.54 78.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.606 0.717 . . . . 65.41 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.79 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.76 130.67 19.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 63.1 112.341 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.71 122.04 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 45.31 111.174 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.47 152.4 45.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.701 0.763 . . . . 71.13 110.858 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.66 29.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 42.01 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -105.07 -33.83 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.44 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.51 -10.18 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 64.01 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.584 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.26 102.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 53.32 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.9 16.46 19.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 64.34 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -134.56 171.3 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 74.34 110.864 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.71 112.82 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.01 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.43 115.53 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.1 mt 57.23 26.0 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 65.14 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.81 7.58 68.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 65.41 112.504 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -105.63 133.33 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -61.74 142.12 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 30.43 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.49 155.93 21.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 74.14 112.504 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -149.48 134.19 17.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 65.31 110.873 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.9 -30.36 69.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 43.13 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 t -162.91 152.45 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.176 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.903 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -62.21 -17.54 58.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 54.14 110.922 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.85 -15.98 63.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 60.11 111.113 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -37.89 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 108.35 0.99 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 72.51 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.77 4.89 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.699 2.266 . . . . 65.31 112.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.69 131.09 41.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 127.6 33.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.938 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.5 p -82.31 144.3 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 70.24 111.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' OD2' HG22 ' A' ' 9' ' ' ILE . 4.5 t70 -80.03 -43.7 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.872 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.8 ttp -146.4 129.4 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.834 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG22 HG11 ' A' ' 71' ' ' VAL . 81.1 t -97.96 108.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.05 111.143 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -80.8 126.24 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.1 t -111.32 117.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.112 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.746 ' CE1' HG11 ' A' ' 32' ' ' VAL . 98.2 m-85 -116.9 -15.09 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.86 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -51.56 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -176.04 -179.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.902 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t -72.73 -45.88 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.815 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.99 -38.5 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -75.66 -24.92 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.085 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 80' ' ' SER . . . -54.44 -43.33 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.092 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -64.01 -53.69 46.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 74.1 110.882 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.06 -43.17 97.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.53 112.447 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 82' ' ' ALA . 48.9 t -72.09 -26.07 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.42 111.115 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.24 -55.48 13.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.114 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.628 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -56.23 -43.38 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.943 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.51 -45.33 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.73 -50.08 70.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.111 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.31 -36.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.47 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.033 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.903 HD13 HD12 ' A' ' 64' ' ' LEU . 46.9 pt -71.02 -24.47 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.086 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.0 56.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 73.35 112.462 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -65.61 175.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 72.53 111.077 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -116.68 -28.47 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -161.12 158.08 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.03 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 120' ' ' VAL . 5.0 tp -138.65 134.06 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 64.2 110.96 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -131.08 138.61 49.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.692 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.2 mt -115.74 -167.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.922 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.703 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.5 tp-100 -85.33 155.46 21.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.55 110.965 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.8 tp -79.36 131.79 36.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 73.2 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.13 55.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 74.42 112.471 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.9 p -91.74 148.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 73.4 111.166 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.81 103.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 55.04 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -116.42 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.713 ' O ' HG23 ' A' ' 111' ' ' VAL . 35.0 tp10 -51.94 -35.9 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.922 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -47.46 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.948 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.1 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.488 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -71.25 -32.09 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 62.52 111.1 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 107' ' ' GLU . 20.9 t -78.54 -39.4 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.24 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' A' ' 88' ' ' GLN . 33.3 tp -55.99 -45.6 78.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.4 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 61.33 111.106 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -69.17 -26.73 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -61.04 -35.16 76.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 62.2 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.5 -23.87 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 55.55 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.65 -5.84 27.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 32.52 112.509 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 156.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 64.43 110.896 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.463 ' OG ' HG23 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.56 94.7 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.869 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.587 HG23 HD23 ' A' ' 98' ' ' LEU . 14.9 p -100.55 132.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.54 111.152 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.88 105.86 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.12 111.107 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.692 ' CB ' HD12 ' A' ' 100' ' ' LEU . 1.6 ptt? -104.15 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.854 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 51.73 34.4 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.907 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.2 mmm180 -150.44 135.89 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 102' ' ' LEU . 23.7 t -127.34 129.71 23.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.619 0.723 . . . . 65.13 110.862 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -21.42 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 73.33 112.363 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.36 74.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.141 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 64.5 111.129 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.842 0.353 . . . . 63.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.82 -39.81 68.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.23 111.128 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.31 -32.17 52.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 55.14 112.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.27 -29.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 73.11 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.19 -28.05 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.53 110.91 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -87.44 -20.37 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.5 111.139 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -87.15 -67.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 64.05 110.857 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 128.38 44.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 61.21 111.144 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -103.7 104.25 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -139.17 130.02 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 64.02 111.141 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 1.093 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -112.33 128.28 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 52.41 111.107 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . . . -106.65 151.52 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 62.41 111.105 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 45' ' ' PRO . 2.1 tp -131.71 127.34 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.674 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.9 t -104.79 126.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.45 111.153 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 63.9 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 73.14 112.538 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.73 107.24 18.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 71.42 111.082 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -123.46 -175.32 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 70.24 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -99.51 47.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.872 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -110.61 84.47 4.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 73.44 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 72.24 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.48 24.78 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.896 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -132.69 159.18 73.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 71.32 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.74 -16.42 37.64 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 73.13 112.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -29.08 55.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 54.33 110.834 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -87.8 -44.32 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.885 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 7.0 ptm180 -53.79 -32.5 52.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 63.11 110.869 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 28' ' ' PRO . 89.5 t -77.21 -40.18 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.23 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.3 ttm -55.3 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.856 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -64.94 -22.35 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.11 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.94 -51.49 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 1.093 HD13 HG21 ' A' ' 16' ' ' ILE . 42.5 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.01 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HG ' HG21 ' A' ' 43' ' ' VAL . 16.2 mt -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.926 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -76.76 -42.37 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.12 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.75 -24.88 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 60.15 110.942 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.37 44.54 1.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 51.42 112.497 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.1 m-85 -119.82 167.36 12.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 74.24 110.919 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.02 117.67 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 64.43 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.759 HG12 ' HD3' ' A' ' 45' ' ' PRO . 87.4 t -110.66 132.52 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.11 111.101 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.3 79.57 70.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 70.52 111.098 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.759 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 134.75 28.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 74.23 112.31 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.56 121.97 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 72.11 111.181 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 152.09 43.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 74.34 110.899 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.42 36.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 75.54 112.364 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -106.49 -29.92 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.53 -6.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.123 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.86 7.68 21.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.481 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -139.82 163.34 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.22 110.9 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.42 122.53 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.169 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 2.9 mt -109.63 122.5 47.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.94 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.644 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.5 mt 58.72 21.78 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.946 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.14 69.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 64.25 112.466 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.72 137.53 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 55.03 110.909 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -72.19 132.39 44.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.869 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.21 159.95 36.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.464 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -148.79 135.39 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 73.13 110.913 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.568 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.16 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 71.3 111.066 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 t -166.86 156.71 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.159 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -24.39 67.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 54.31 110.917 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.5 2.71 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.14 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -101.44 -21.1 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.869 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.5 p -99.06 133.16 22.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 40.33 111.136 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.6 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 74.13 112.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.65 151.21 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -101.93 144.95 29.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.873 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 17' ' ' ALA . 88.7 t -98.86 143.84 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 44.42 111.17 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -108.02 -39.56 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 ttp -132.06 112.02 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 61.02 110.884 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.579 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 46.3 t -89.05 108.64 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 64.52 111.094 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -89.65 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.794 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 HG11 ' A' ' 86' ' ' VAL . 15.3 t -104.52 107.45 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.34 111.131 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -125.3 -2.31 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.899 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -48.17 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 73.41 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -150.93 175.21 12.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -73.94 -60.03 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 52.35 110.904 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -60.32 -25.52 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 55.44 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.28 -28.12 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.47 -30.23 19.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.106 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -71.32 -53.32 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.11 110.934 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.18 -29.9 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 62.34 112.549 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 19' ' ' VAL . 21.2 t -82.82 -37.28 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 74.53 111.121 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.6 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.066 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.78 -42.88 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.43 -44.48 87.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.865 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -37.65 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 61.02 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 118' ' ' LEU . 9.9 mt -75.29 -25.42 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 111.098 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.66 -51.59 48.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.067 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.76 -31.19 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.05 111.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.41 52.9 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 72.32 112.463 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.31 171.23 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.31 111.128 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -117.49 -28.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 72.12 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.93 158.78 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 45.42 111.175 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 74' ' ' VAL . 15.6 tp -137.72 102.25 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.912 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.552 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.3 t-105 -99.64 133.76 43.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.909 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.811 HD12 ' HB3' ' A' ' 122' ' ' MET . 53.9 mt -108.22 -174.14 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -84.66 144.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.943 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 125' ' ' CYS . 4.5 tp -55.49 141.14 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.927 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.2 16.03 68.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 71.42 112.44 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.83 122.5 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 64.24 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 122' ' ' MET . 46.9 mt -125.07 132.84 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.081 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.93 106.06 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 54.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.75 -37.61 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.941 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -49.11 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.01 -24.19 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.11 111.071 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -65.31 -51.28 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.42 111.117 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -73.51 -33.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.54 -28.95 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.57 -39.72 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 30.43 111.129 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.2 -39.3 59.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.79 -30.65 45.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -24.36 14.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 43.23 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.75 31.32 5.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 75.24 112.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -87.42 151.21 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 64.15 110.913 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 m -87.96 100.64 13.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 99.8 t -91.29 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.17 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.552 HG11 ' CH2' ' A' ' 99' ' ' TRP . 44.0 t -140.67 116.42 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 71.44 111.141 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.811 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.97 173.19 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.884 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.17 31.16 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.429 ' CA ' HD12 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -149.59 139.12 21.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 70.42 110.848 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 125' ' ' CYS . . . . . 0.782 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -133.43 149.2 71.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.708 . . . . 62.35 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -29.83 22.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 55.15 112.341 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.43 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.33 111.075 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 63.54 111.097 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 64.54 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.445 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -37.06 65.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.09 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.56 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.69 -34.13 44.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.455 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.0 mp -75.48 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.857 0.36 . . . . 74.25 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.31 -27.12 26.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.911 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.56 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.8 t -87.86 -20.9 25.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -85.92 -67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 51.55 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.89 135.35 49.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -110.42 103.92 12.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.885 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 71' ' ' VAL . 90.8 m -139.41 143.62 37.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 65.3 111.139 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -128.15 137.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.097 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -125.25 140.43 52.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.102 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 21' ' ' ALA . 3.2 tt -116.16 134.8 54.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 t -106.78 124.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.12 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 51.2 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.803 -0.713 . . . . 54.32 112.497 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.22 112.08 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.22 111.122 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -128.12 -169.19 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -92.91 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.845 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -108.71 87.67 4.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.568 0.699 . . . . 73.04 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.48 21.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 74.05 112.323 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -99.42 17.51 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 53.45 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.79 156.44 44.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 70.42 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.5 Cg_endo -69.79 -23.17 30.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 71.13 112.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -19.07 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 45.11 110.88 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.3 -46.58 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.919 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 5.0 ptp180 -53.55 -39.43 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 34.1 t -77.24 -31.19 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' HG11 ' A' ' 43' ' ' VAL . 14.6 tpt -59.0 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.87 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.49 -20.64 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.07 -47.77 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.925 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 16' ' ' ILE . 53.1 mt -64.21 -40.87 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 71.21 110.911 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 43' ' ' VAL . 50.9 mt -66.62 -41.82 87.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.918 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -51.15 63.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.74 -25.1 53.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 51.59 1.37 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 71.42 112.535 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -117.08 172.89 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.23 110.903 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.04 109.05 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 65.51 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.49 HG11 ' SD ' ' A' ' 33' ' ' MET . 19.6 t -109.41 144.58 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.154 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -134.25 78.13 58.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 75.44 111.126 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.76 134.26 27.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.612 2.208 . . . . 62.42 112.369 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.1 122.27 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 65.21 111.168 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 75.41 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -13.94 35.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.65 2.234 . . . . 74.34 112.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -106.03 -30.65 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.15 -3.77 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 70.43 111.145 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -64.93 95.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.24 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.24 11.38 7.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 70.41 112.499 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -142.95 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 74.1 110.888 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.17 113.53 26.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 63.45 111.144 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.76 116.62 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.22 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 33' ' ' MET . 17.7 mt 58.27 22.76 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.83 -9.8 66.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.489 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -94.72 131.42 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 75.54 110.87 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.21 135.49 57.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 62.42 110.939 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.86 166.78 31.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 72.14 112.49 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -154.24 137.2 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 73.11 110.929 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.571 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -64.6 -24.44 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 42.1 111.117 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -166.75 153.43 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 93' ' ' ILE . 3.9 pp -61.95 -17.87 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 53.1 110.96 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.46 4.03 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 60.44 111.09 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.19 -23.2 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -94.07 133.05 28.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 54.02 111.164 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.74 -42.21 3.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 75.23 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -59.65 151.12 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.919 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -111.73 133.56 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -84.27 144.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 53.33 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.55 -24.32 19.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.859 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' MET . . . . . 0.568 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -144.22 117.26 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 62.04 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 71' ' ' VAL . 58.3 t -94.92 111.0 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.149 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -90.81 114.35 26.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.62 114.92 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.14 111.107 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 25.6 m-85 -119.31 -9.94 9.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.4 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -51.48 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 73.34 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -168.98 -175.78 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 71.04 110.909 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -74.95 -53.15 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -53.53 -36.01 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.8 -28.54 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 25.31 111.061 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.09 63.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 54.14 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -66.57 -54.35 24.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.946 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.18 -40.33 93.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.442 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 82' ' ' ALA . 90.8 t -74.34 -33.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 63.34 111.163 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ALA . . . . . 0.461 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -60.89 -57.41 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.52 111.085 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -52.02 -44.79 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.916 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.51 -43.97 97.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 53.31 111.098 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -75.0 -23.15 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.197 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.39 -51.44 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 63.43 111.096 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 64' ' ' LEU . 2.4 pp -71.66 -27.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.131 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.15 51.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 75.1 112.518 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 71.12 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -127.41 -38.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 9' ' ' ILE . 1.5 m -148.04 158.37 44.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.113 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 HG23 ' A' ' 120' ' ' VAL . 8.1 tp -136.64 130.98 33.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.94 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TRP . . . . . 0.622 ' CH2' HG11 ' A' ' 121' ' ' VAL . 6.4 t-105 -128.74 133.87 48.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.905 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 122' ' ' MET . 22.1 mt -111.15 -168.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 75.24 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLN . . . . . 0.706 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.5 mm-40 -86.6 158.04 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.899 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.34 131.74 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.852 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.45 -13.14 56.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 42.22 112.471 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.2 p -93.82 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.14 111.134 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.0 mt -142.96 111.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -125.62 87.76 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.894 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.91 -28.4 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 62.32 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.14 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.7 -23.58 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.101 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.73 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.65 -52.17 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.04 111.131 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.77 -32.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 87' ' ' ALA . 25.0 tp -52.68 -28.76 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.3 110.891 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.42 -32.52 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.112 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -61.43 -39.67 91.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 62.42 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.84 -31.49 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.49 -24.12 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 61.42 111.084 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.51 -12.07 39.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 62.4 112.46 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LEU . . . . . 0.467 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 3.0 tp -51.77 148.8 5.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 72.43 110.912 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 m -86.39 98.73 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.51 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' VAL . . . . . 0.73 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -91.95 125.57 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.622 HG11 ' CH2' ' A' ' 99' ' ' TRP . 42.9 t -128.96 109.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 73.43 111.117 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' MET . . . . . 0.622 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -115.22 179.6 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 60.35 110.841 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 t0 51.86 38.08 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.53 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.6 mtt-85 -151.97 136.27 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.6 t -108.75 129.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 71.05 110.889 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.93 35.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 64.25 112.333 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.36 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.194 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.328 . . . . 75.23 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 41.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.876 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.38 121.41 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 75.54 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -110.06 71.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 64.14 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.2 172.38 12.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 pt -52.16 -27.59 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 51.4 111.108 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.11 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 61.21 111.072 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.13 -31.59 51.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 44.52 112.477 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.28 -37.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 73.55 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -78.75 -35.25 44.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.925 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.52 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -76.18 -27.74 57.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 t -82.25 -63.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.81 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -128.34 124.26 36.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.13 111.117 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -107.24 104.31 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -139.26 118.4 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.144 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.881 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -108.45 126.14 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 53.13 111.177 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.04 127.97 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 31.33 111.093 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.4 135.47 39.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.592 HG21 HG11 ' A' ' 86' ' ' VAL . 24.9 t -105.53 126.45 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.06 43.76 38.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 60.04 112.47 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.11 95.94 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 60.31 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -106.33 -169.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.846 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.85 44.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.11 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -109.8 83.47 2.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 72.2 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.89 17.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 74.22 112.316 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -98.05 22.81 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.876 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -128.09 159.84 64.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 74.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.78 -19.4 36.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 50.54 112.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 m -74.37 -23.84 59.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.53 110.821 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -88.6 -48.91 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.905 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -33.95 60.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.02 110.856 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.755 HG21 ' CD2' ' A' ' 77' ' ' PHE . 27.5 m -77.24 -31.08 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.02 111.089 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.4 ttm -65.45 -66.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.846 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -24.01 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.922 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.52 -46.17 70.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.904 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.881 HD13 HG21 ' A' ' 16' ' ' ILE . 63.0 mt -70.77 -29.31 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.928 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 43' ' ' VAL . 11.0 mt -69.12 -46.76 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.56 -40.16 88.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 62.35 110.893 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -56.49 -25.35 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.99 39.7 3.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 51.43 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 68.9 m-85 -118.38 153.99 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 60.13 110.9 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -73.08 104.96 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.804 HG12 ' HD3' ' A' ' 45' ' ' PRO . 50.2 t -101.67 129.88 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 70.53 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -127.49 77.35 76.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 74.54 111.091 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.804 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.83 126.5 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.726 2.284 . . . . 64.15 112.346 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.87 122.1 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 52.23 111.114 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.42 46.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 65.14 110.916 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 43.12 112.359 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -103.77 -32.46 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 1.96 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.53 111.119 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -57.17 99.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 71.21 111.082 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.84 18.89 33.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.677 -0.773 . . . . 70.03 112.522 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -127.18 177.56 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 70.31 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.74 121.02 41.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.83 105.78 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt 60.1 26.01 15.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.77 -10.04 68.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.69 -0.766 . . . . 72.52 112.493 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -94.74 131.48 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 72.53 110.923 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -60.31 136.0 57.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.96 158.71 23.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 52.44 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.2 141.79 26.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 70.14 110.937 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.52 -32.3 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 62.03 111.072 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.0 p -149.02 154.35 39.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.54 111.114 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HD13 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -64.78 -15.37 61.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.885 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 11.01 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.33 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -110.94 -21.17 12.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.87 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -81.64 133.09 53.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 62.51 111.153 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.81 -42.17 3.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 71.11 112.338 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.1 135.41 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 44.02 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -80.67 123.86 28.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 61.5 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.05 140.48 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.24 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.41 -26.38 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.864 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ttp -144.87 113.98 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.872 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' A' ' 98' ' ' LEU . 65.2 t -90.39 113.92 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.112 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.65 104.2 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.913 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG22 HG11 ' A' ' 86' ' ' VAL . 21.7 t -104.17 105.13 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 72.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' A' ' 32' ' ' VAL . 26.1 m-85 -122.22 -5.17 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.901 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HD3' HG12 ' A' ' 19' ' ' VAL . 48.6 mtm180 -52.02 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.15 110.861 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -149.48 -178.24 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 62.4 110.86 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.9 p -74.11 -59.63 2.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 54.55 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.66 -26.29 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 43.04 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -55.75 -30.46 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' A' ' 100' ' ' LEU . . . -58.55 -35.83 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.126 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -67.15 -54.43 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.96 -42.28 98.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.435 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 19' ' ' VAL . 48.1 t -71.6 -25.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 50.52 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.567 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -70.39 -55.89 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -54.1 -44.16 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.07 -45.87 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -50.38 73.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.094 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.95 -26.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.04 -50.68 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 71.11 111.128 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.832 HD13 HD12 ' A' ' 64' ' ' LEU . 44.2 pt -71.66 -25.18 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.105 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.96 54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.473 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.652 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -68.91 -178.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 62.05 111.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -133.6 -40.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -134.01 158.23 44.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.125 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.592 HD23 HG23 ' A' ' 120' ' ' VAL . 9.6 tp -142.7 122.43 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 121' ' ' VAL . 2.9 t-105 -118.79 127.54 53.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.892 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 122' ' ' MET . 12.5 mt -104.86 -169.97 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -81.09 142.49 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -76.78 133.39 39.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 42.41 110.913 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -12.72 56.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 73.03 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.95 151.94 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 74.11 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.59 117.52 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.133 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -125.81 98.58 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.87 -29.59 69.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.889 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -49.22 70.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.896 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.35 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 44.02 111.048 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -66.1 -51.11 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.074 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.45 -32.39 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 70.34 111.104 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 87' ' ' ALA . 23.7 tp -52.91 -28.48 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 53.35 110.908 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -39.31 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 51.41 111.13 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -54.94 -36.31 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.836 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -52.88 -29.21 26.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.76 -23.52 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.41 37.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.476 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.6 tp -51.92 148.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 74.12 110.949 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 98.45 10.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.918 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 110' ' ' ALA . 10.0 p -91.64 131.19 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.43 111.109 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.433 HG21 ' CZ3' ' A' ' 99' ' ' TRP . 22.0 t -132.33 105.95 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 61.53 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.642 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -104.42 168.18 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.89 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.81 40.1 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.848 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 102' ' ' LEU . 15.7 mtt180 -151.07 136.75 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.4 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.58 149.7 68.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 64.15 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.8 Cg_endo -69.78 -29.66 23.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 61.44 112.363 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.28 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.098 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 102' ' ' LEU . 62.9 mt -98.27 -19.89 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.158 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 36.8 tt0 -75.5 -26.94 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 61.23 110.893 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -68.56 -57.59 8.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 60.2 110.919 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.73 -7.27 20.61 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.675 2.25 . . . . 72.34 112.39 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.95 -29.74 21.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.5 mt -105.87 -28.67 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 51.23 110.927 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 30.11 4.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.496 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.73 26.02 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 71.14 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -87.67 129.58 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 51.43 111.085 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 73.3 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.34 134.24 20.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.909 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -117.87 49.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.894 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -69.03 -33.49 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 62.13 110.86 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -146.48 178.29 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 9' ' ' ILE . 16.1 pt -52.59 -27.38 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 62.03 111.166 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -35.64 63.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 65.15 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.07 -31.69 51.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 55.15 112.481 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.2 mp -76.18 -36.53 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 64.25 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.9 -31.33 45.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.935 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.528 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -81.52 -25.75 35.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 63.23 111.107 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 t -81.54 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.89 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.47 135.42 49.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.24 111.185 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -110.53 103.5 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 63.54 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 71' ' ' VAL . 85.8 m -139.83 143.54 36.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 51.43 111.148 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.866 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -128.43 136.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.13 111.142 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.65 135.57 53.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 61.34 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 29' ' ' SER . 5.7 tt -108.79 135.37 50.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG22 ' HD2' ' A' ' 78' ' ' ARG . 10.4 p -99.33 135.8 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.105 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.88 60.85 6.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.521 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -93.68 90.13 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 72.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -106.92 -168.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 52.14 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.66 43.27 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 53.43 110.865 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -109.68 83.94 2.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.582 0.706 . . . . 64.14 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 70.41 112.315 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -98.15 23.88 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -128.61 160.49 62.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 71.24 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.75 -14.42 36.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 71.24 112.344 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . 3.2 p -77.41 -27.7 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.835 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.63 -45.53 10.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.25 -32.82 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.804 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 91.3 t -77.09 -38.8 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 52.13 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.3 ttm -54.77 -57.17 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -66.76 -22.04 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 63.01 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.408 ' HE1' HD23 ' A' ' 130' ' ' LEU . 1.8 t80 -73.07 -51.36 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 16' ' ' ILE . 80.5 mt -73.28 -25.44 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.936 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.9 mt -76.66 -44.16 35.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.55 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.83 -40.44 79.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.75 -25.35 54.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.08 38.33 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 25.31 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -116.33 164.83 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 65.41 110.933 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -82.82 117.3 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 70.31 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HD3' ' A' ' 45' ' ' PRO . 27.3 t -113.67 140.06 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.83 76.86 76.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.621 0.724 . . . . 75.55 111.111 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.61 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.78 126.99 13.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 74.21 112.312 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.01 122.54 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.108 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.31 152.44 46.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 75.1 110.883 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 73.41 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -106.25 -33.65 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.615 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.46 -6.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.124 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.7 103.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.15 111.138 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.48 19.75 21.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 74.11 112.493 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 177.46 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.34 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.4 114.45 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.15 111.143 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -110.57 117.61 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 62.22 110.944 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt 62.78 25.64 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.52 -2.56 86.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 73.24 112.484 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -94.82 143.86 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 74.32 110.942 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -72.02 139.53 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.942 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.615 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.03 153.44 20.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.717 . . . . 71.24 112.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -147.01 137.99 23.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 73.32 110.939 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.603 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.11 -25.4 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -169.56 161.86 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.14 111.166 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.804 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.21 -15.68 60.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 72.52 110.882 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 11.98 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.118 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -113.14 -21.07 11.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.845 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -88.26 133.08 37.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 65.13 111.142 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.69 -42.29 3.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 74.34 112.37 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.88 140.06 53.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -95.72 126.11 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.88 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 74' ' ' VAL . 7.5 p -74.55 144.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 43.13 111.097 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.69 -21.38 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.03 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.605 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -145.48 114.73 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 55.22 110.888 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.734 HG22 HG11 ' A' ' 71' ' ' VAL . 50.8 t -97.47 112.89 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.25 111.153 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.7 m-20 -99.11 115.43 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.887 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG13 HG11 ' A' ' 19' ' ' VAL . 93.7 t -97.82 117.31 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.804 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 76.8 m-85 -119.23 -11.14 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HD2' HG22 ' A' ' 19' ' ' VAL . 15.8 mtt180 -51.35 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.31 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -176.23 177.46 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.9 p -70.74 -53.64 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 72.13 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -55.16 -29.65 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.881 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -74.13 -26.4 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.114 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.75 -44.42 63.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -65.41 -52.83 50.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.54 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.47 60.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 60.04 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 82' ' ' ALA . 97.7 t -78.28 -39.65 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 74.44 111.143 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.565 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -53.89 -54.27 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 70.24 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -55.01 -41.04 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 61.34 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' LEU . 11.9 mt-10 -66.3 -45.74 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.89 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.42 -48.58 81.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.03 111.119 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.95 -30.98 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.162 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.81 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 71.02 111.106 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HD12 ' A' ' 64' ' ' LEU . 45.7 pt -74.09 -25.33 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.11 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.98 52.13 0.91 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.492 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -57.9 -179.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 73.12 111.091 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -123.16 -37.34 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.915 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 119' ' ' SER . 1.3 m -148.14 158.57 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.45 111.115 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -136.21 132.27 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.95 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.551 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -131.38 128.62 39.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.945 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 122' ' ' MET . 31.6 mt -107.54 -170.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -81.83 145.35 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 43.32 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -75.31 128.53 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.878 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.58 -16.08 34.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 74.52 112.496 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.89 150.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 71.23 111.119 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.9 mt -134.6 115.83 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.143 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.75 87.4 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.04 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.651 ' O ' HG23 ' A' ' 111' ' ' VAL . 43.9 tt0 -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.33 110.89 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.24 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 44.34 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.412 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -74.87 -32.24 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.088 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -76.68 -41.15 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 50.01 111.169 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 87' ' ' ALA . 19.2 tp -53.61 -60.34 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.928 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.85 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.083 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -63.21 -34.46 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.41 -41.62 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 52.43 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.06 -24.19 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.1 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.05 -6.1 50.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 72.55 112.488 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 95' ' ' ALA . 3.3 tp -51.63 156.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 73.23 110.905 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.477 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -85.94 95.78 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.88 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -91.58 123.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 50.31 111.112 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.551 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -133.54 105.77 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.689 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -109.51 179.98 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.88 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 51.91 36.54 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.504 ' HA ' HD12 ' A' ' 102' ' ' LEU . 39.0 mmt180 -151.1 136.38 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.897 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.3 130.68 19.27 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.645 0.736 . . . . 61.3 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.58 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 60.25 112.312 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.38 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 73.04 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.3 mm -98.88 -20.91 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 70.35 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.01 -28.66 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 61.14 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -67.08 -57.55 10.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 73.51 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.64 2.227 . . . . 75.43 112.359 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -51.77 -29.81 20.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.8 mt -105.68 -30.5 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 70.31 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.46 38.57 2.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 34.44 112.471 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 mt -97.76 -25.87 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 64.42 110.935 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.419 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.82 141.1 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.53 111.104 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.927 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.832 0.348 . . . . 70.41 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -101.39 91.02 4.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.91 135.37 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.67 74.05 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.883 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.627 ' OD1' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -164.55 169.4 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.844 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -51.79 -27.5 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 74.24 111.148 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.627 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . . . -54.86 -39.78 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 53.12 111.126 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.85 -32.05 51.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.5 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 9' ' ' ILE . 4.0 mp -75.51 -31.57 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 74.42 111.15 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -84.71 -29.62 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.11 110.924 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.1 t -82.81 -24.34 33.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.168 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -81.68 -65.39 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 62.12 110.852 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.1 m -128.49 144.53 51.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 63.33 111.129 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -116.42 102.76 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.8 m -140.6 143.53 35.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.14 111.124 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 36' ' ' LEU . 4.8 mp -133.17 120.47 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.14 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -113.82 122.24 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.03 111.1 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.21 127.55 36.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.958 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' N ' HD13 ' A' ' 18' ' ' LEU . 69.4 t -98.07 115.5 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.24 111.136 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.44 59.72 1.71 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 44.43 112.503 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 94.12 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 72.43 111.144 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -102.69 -169.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -94.8 44.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 64.32 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -109.95 83.46 2.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 71.33 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.34 18.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 74.4 112.334 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.82 23.11 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -126.04 161.04 53.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.582 0.706 . . . . 61.33 110.86 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.81 36.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 75.04 112.363 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -77.19 -27.49 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.74 -46.12 9.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.938 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -33.34 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 75.44 110.869 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.0 p -77.0 -36.13 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.123 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -62.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -63.24 -22.09 66.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.898 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -70.91 -47.12 60.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 53.21 110.954 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 16' ' ' ILE . 95.1 mt -68.4 -34.92 76.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.9 mt -67.55 -46.76 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.903 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.82 -55.67 24.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.86 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.2 mm-40 -56.82 -25.45 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 65.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.72 60.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 72.14 112.534 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 58.3 m-85 -127.85 155.35 44.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 65.01 110.923 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.874 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.605 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.6 t -106.87 134.65 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.144 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.37 77.91 76.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 71.12 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.74 128.9 16.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 61.15 112.341 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.18 121.95 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 61.03 111.112 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.78 152.53 44.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 62.24 110.88 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.45 28.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 55.11 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -106.26 -33.46 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.869 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 55' ' ' LEU . 9.1 p -77.57 -9.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 71.4 111.152 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.31 102.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 64.13 111.115 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.36 17.38 20.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 44.1 112.497 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -133.85 177.72 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 65.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 108.24 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 64.33 111.095 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 50' ' ' VAL . 4.6 mt -98.1 111.15 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt 62.14 25.22 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.901 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.33 77.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.44 112.494 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -94.94 141.39 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -66.02 143.76 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.882 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.91 156.38 20.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.488 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -149.98 133.72 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.41 110.91 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.063 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -145.47 148.31 33.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.55 111.193 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.67 -19.49 65.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.931 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 93' ' ' ILE . . . -71.05 -12.75 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 44.41 111.113 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -89.14 -31.49 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 50.21 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.36 108.52 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 62.12 111.099 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -43.35 2.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 73.23 112.359 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.24 110.6 5.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -52.03 118.91 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 51.34 110.905 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 74' ' ' VAL . 5.1 p -74.09 148.1 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.112 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.61 -32.12 11.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.49 125.9 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.844 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.598 ' CG2' HG11 ' A' ' 71' ' ' VAL . 21.8 t -113.53 131.47 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.34 151.24 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.844 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.18 119.43 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 91.8 m-85 -118.8 -10.34 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -51.61 -72.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -157.34 170.64 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -72.56 -57.47 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.75 -27.46 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 71.35 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -67.38 -23.6 65.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 41.14 111.087 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 70.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.3 t-105 -67.67 -54.4 19.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.926 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.24 -37.9 75.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.75 . . . . 65.35 112.528 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' ALA . 40.2 t -79.0 -30.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 71.44 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.5 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.84 -42.65 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.938 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.24 -38.31 87.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.13 111.093 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.795 HD12 HD22 ' A' ' 112' ' ' LEU . 51.9 mt -70.23 -29.69 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.64 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.54 111.072 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.567 ' CD1' HD12 ' A' ' 64' ' ' LEU . 26.2 pt -76.32 -30.51 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.069 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.73 80.7 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 31.43 112.482 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -86.89 -169.63 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 60.21 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.42 -43.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.914 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.69 158.23 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 62.22 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.4 tp -138.72 105.85 5.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.453 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -103.63 137.94 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.923 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.715 HD12 ' HB3' ' A' ' 122' ' ' MET . 52.6 mt -111.17 -179.26 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -87.13 139.21 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.94 135.84 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.23 18.04 65.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 42.42 112.518 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.43 127.74 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 73.22 111.118 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.9 mm -129.19 115.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.156 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.601 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 9.6 t-20 -120.72 91.82 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.891 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 6.5 tt0 -52.01 -36.8 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 71.2 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -52.73 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 52.11 110.927 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.601 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.54 -25.93 40.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 51.33 111.085 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.7 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 43.42 111.074 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -60.0 -47.63 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 50.43 111.129 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.92 -52.22 51.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.92 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.13 -33.45 76.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.3 111.102 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.38 -46.2 89.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -82.28 -24.14 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 45.33 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.69 39.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 62.13 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.714 HD11 ' C ' ' A' ' 95' ' ' ALA . 1.1 tp -51.84 153.82 2.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 75.43 110.912 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -91.12 95.85 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.59 130.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.453 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.5 t -134.96 112.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.12 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.715 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.51 178.53 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.892 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.25 30.45 7.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.13 161.31 37.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 72.15 110.881 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.5 t -156.71 129.46 4.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 63.31 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.6 Cg_endo -69.82 -22.9 31.17 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.258 . . . . 74.05 112.352 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.55 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.24 111.069 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.2 mt -98.77 -18.16 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.128 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 34.8 tt0 -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.3 tp -67.63 -57.57 9.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 54.34 110.871 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.8 -7.05 20.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 73.32 112.306 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.708 ' CG ' HD12 ' A' ' 133' ' ' LEU . 6.7 ptm180 -51.96 -29.67 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.837 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.708 HD12 ' CG ' ' A' ' 132' ' ' ARG . 1.8 mp -97.14 -29.49 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 63.45 110.891 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.61 5.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 64.14 112.478 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.26 -25.87 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 63.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.529 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.7 146.84 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 63.41 111.064 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 39.7 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 63.4 110.901 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.857 0.36 . . . . 71.03 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -115.75 155.29 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.899 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.43 -26.22 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -104.91 162.1 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -94.24 -23.85 17.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 63.22 110.87 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.8 pt -52.81 -27.49 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.1 111.125 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.7 68.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 53.34 111.049 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.91 -33.06 47.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 64.42 112.525 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.38 -30.99 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 73.13 111.112 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -28.02 25.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.924 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.3 t -86.23 -21.6 27.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -84.91 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.49 140.4 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.103 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -110.24 103.75 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 71' ' ' VAL . 89.1 m -139.56 143.68 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.141 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.793 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -129.57 134.84 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.45 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.53 141.48 51.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.093 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 77' ' ' PHE . 13.7 tp -115.87 135.37 54.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 63.41 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.517 ' N ' HD12 ' A' ' 18' ' ' LEU . 99.2 t -112.1 106.52 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.34 111.165 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.07 59.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 63.53 112.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.39 135.1 38.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 75.51 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -150.74 -169.51 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 54.22 110.857 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.54 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.43 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -110.06 83.19 2.85 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 65.42 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.17 17.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.262 . . . . 74.31 112.343 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.05 24.94 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 41.34 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -129.1 159.09 70.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 64.11 110.845 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.81 -16.71 37.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 74.2 112.381 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -25.52 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.88 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.37 -46.99 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.42 110.922 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -53.68 -34.64 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 74.04 110.866 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.702 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 87.1 t -77.23 -39.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.35 111.095 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttp -54.35 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.885 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.34 -20.26 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.97 -49.47 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.892 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.793 HD13 HG21 ' A' ' 16' ' ' ILE . 69.5 mt -70.85 -28.62 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.896 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 58' ' ' GLN . 11.1 mt -72.38 -43.28 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.917 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.882 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -56.85 -25.29 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.43 44.11 1.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 53.22 112.473 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.1 m-85 -125.35 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 73.21 110.943 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.17 121.93 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 35.2 t -114.33 131.6 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 62.2 111.174 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mt -124.91 75.25 66.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.639 0.733 . . . . 72.24 111.186 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.74 136.54 33.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 75.32 112.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.83 122.31 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 54.34 111.114 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 152.53 46.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 74.34 110.85 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.7 24.28 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 74.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -106.21 -34.0 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 72.2 110.944 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -78.94 -7.75 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.113 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.6 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.24 111.103 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.86 19.03 20.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.24 112.467 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -134.18 177.63 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 54.13 110.926 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.97 117.96 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.43 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -108.18 114.67 28.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 mt 58.75 25.92 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 53.13 110.936 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.31 6.4 68.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 72.05 112.463 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.511 ' CD ' HD21 ' A' ' 37' ' ' LEU . 43.4 mm-40 -103.21 131.29 50.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 72.25 110.872 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -62.18 141.59 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.22 154.62 20.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 75.41 112.522 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -147.15 137.13 23.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.914 0.387 . . . . 75.23 110.938 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.607 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.54 -31.04 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.43 111.098 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 t -157.68 151.49 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 65.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -62.46 -18.23 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.891 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.57 -18.37 64.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.99 -31.01 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.823 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 64' ' ' LEU . 65.3 t -50.4 108.47 1.03 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.643 0.735 . . . . 64.33 111.112 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.39 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 70.54 112.38 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -66.5 118.54 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 65.13 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -70.62 116.07 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.849 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -76.58 144.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.113 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.91 -24.23 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 63.42 110.849 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.516 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -143.45 118.77 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.648 HG22 HG11 ' A' ' 71' ' ' VAL . 23.9 t -103.01 115.58 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.621 ' OD1' HG23 ' A' ' 16' ' ' ILE . 2.0 m-20 -102.32 138.18 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.899 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.83 119.02 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.156 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.702 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 8.4 m-85 -119.74 -9.02 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.66 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -168.15 171.76 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -68.0 -59.08 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 51.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.82 -28.09 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.21 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.63 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.089 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -41.58 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 63.43 111.136 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -67.75 -52.97 31.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.16 -38.51 77.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 43.23 112.476 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.3 t -78.92 -33.69 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 63.33 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.65 -55.48 34.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.093 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.1 pt20 -52.15 -42.5 63.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.79 -44.56 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.858 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.72 77.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.13 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 113' ' ' ALA . 21.6 mt -74.92 -23.7 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 73.44 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.62 -51.42 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 52.53 111.11 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.35 -30.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 52.01 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.01 52.6 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.811 -0.709 . . . . 65.1 112.509 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -59.57 177.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 60.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -117.88 -30.16 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.1 m -152.82 158.1 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.6 tp -133.37 114.09 13.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 71.33 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.623 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.9 t-105 -115.68 136.74 52.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.931 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.601 ' HB3' HG11 ' A' ' 104' ' ' VAL . 62.3 mt -112.09 179.04 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.869 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.0 mm-40 -85.27 134.4 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.913 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.3 mt -51.88 127.08 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.908 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.96 18.21 16.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 50.24 112.463 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 100' ' ' LEU . 10.0 p -117.97 144.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 74.45 111.173 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -142.6 101.36 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -128.09 87.99 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 55.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 111' ' ' VAL . 36.6 tt0 -51.83 -34.17 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.864 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.18 94.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.903 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.116 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.675 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.087 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -77.98 -43.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 42.21 111.172 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' A' ' 87' ' ' ALA . 40.0 tp -51.98 -43.85 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 64.53 110.905 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -76.35 -29.26 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.22 111.059 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -70.69 -37.45 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.885 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.31 -35.65 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.23 -24.29 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.42 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.44 -10.25 33.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 73.11 112.445 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.3 tp -51.75 153.46 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.802 0.334 . . . . 73.4 110.873 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -88.45 99.91 12.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.877 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.9 p -91.62 127.56 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.128 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.623 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -134.13 109.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.3 111.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.86 -177.53 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.854 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.86 39.69 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 52.51 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -142.0 149.96 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.906 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.536 ' HB3' HD12 ' A' ' 102' ' ' LEU . 25.9 t -153.66 129.5 5.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.557 0.694 . . . . 60.21 110.887 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.6 Cg_endo -69.76 -22.92 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 62.12 112.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.93 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.02 111.101 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.2 mt -98.08 -20.66 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 54.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 9.7 tm-20 -79.5 -16.15 56.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.898 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.2 tp -70.17 -57.75 5.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 62.41 110.962 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.79 -23.74 30.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 74.42 112.317 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.675 ' HG3' HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -57.76 -21.62 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.877 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.675 HD12 ' HG3' ' A' ' 132' ' ' ARG . 1.2 mp -95.21 -30.64 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.886 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.24 39.84 4.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 73.51 112.455 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.9 mt -116.37 -25.64 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 74.41 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.64 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.77 140.26 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 61.3 111.076 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.872 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 65.43 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -112.07 110.83 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 53.11 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -120.08 72.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 55.43 110.927 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -152.02 -178.92 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.11 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -110.15 -75.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.854 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt -51.67 -27.45 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.54 111.132 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.52 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.077 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.02 -32.08 50.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 75.2 112.514 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.02 -36.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 43.32 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.84 -31.61 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.941 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.522 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -81.15 -25.87 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -81.83 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.837 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -128.47 134.2 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.54 111.153 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -108.84 103.38 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.843 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 71' ' ' VAL . 75.8 m -139.75 142.07 36.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 61.51 111.176 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.826 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -128.07 136.06 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.55 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -126.24 143.33 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.132 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -115.74 135.4 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 51.33 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 86' ' ' VAL . 57.9 t -106.44 119.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 64.1 111.128 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.83 61.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 70.32 112.48 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 115.76 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 73.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 p -131.23 -176.02 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.22 110.869 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.38 43.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 54.02 110.887 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -109.82 83.69 2.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.21 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.28 18.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 64.22 112.352 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -96.87 24.49 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.887 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -130.23 160.04 67.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 72.13 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -20.44 34.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.31 112.33 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -24.86 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.14 -48.91 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 62.45 110.968 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -54.8 -35.05 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 63.13 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.726 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 11.0 p -77.22 -31.95 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.111 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.586 ' SD ' HD12 ' A' ' 56' ' ' LEU . 1.7 tmm? -62.77 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 62.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.52 -21.53 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.925 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.46 -47.36 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.925 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD13 HG21 ' A' ' 16' ' ' ILE . 80.4 mt -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 63.5 110.914 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 43' ' ' VAL . 10.8 mt -72.38 -46.22 56.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.877 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.48 -41.06 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -57.07 -25.25 58.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.916 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.56 42.46 2.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.33 112.529 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.651 ' HB3' HD13 ' A' ' 16' ' ' ILE . 82.7 m-85 -120.11 157.89 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 53.14 110.904 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -79.23 114.62 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.853 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.646 HG12 ' HD3' ' A' ' 45' ' ' PRO . 21.8 t -110.51 133.64 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.44 111.135 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -128.66 77.01 78.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 73.51 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 138.01 36.78 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 63.21 112.351 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.25 122.38 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 60.21 111.12 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.46 151.9 44.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 64.24 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.71 26.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 74.31 112.319 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -106.4 -32.76 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.91 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.554 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -79.02 -9.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.118 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.32 104.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.076 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.93 18.79 23.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 52.02 112.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -133.02 177.58 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 74.55 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.96 119.88 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.01 111.168 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 5.3 mt -115.76 113.5 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.886 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' SD ' ' A' ' 33' ' ' MET . 27.2 mt 62.8 27.8 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.964 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.01 -0.06 85.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 55.33 112.498 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' CG ' HD11 ' A' ' 37' ' ' LEU . 8.8 mm100 -95.15 138.42 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 72.45 110.891 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.91 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.34 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.554 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.77 153.47 20.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 44.42 112.509 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -146.07 136.0 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 55.12 110.889 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.622 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.18 -25.37 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 54.54 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -168.05 156.07 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.02 111.124 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -58.99 -25.8 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 63.33 110.901 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.75 0.5 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.151 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.71 -20.07 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 71.43 110.896 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -102.57 133.03 20.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 70.13 111.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.1 Cg_endo -69.73 -42.27 3.58 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.385 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.19 139.78 28.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -102.9 118.87 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.736 HG11 HG22 ' A' ' 74' ' ' VAL . 9.2 p -74.11 142.71 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.137 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.76 -24.18 17.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.905 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.509 ' H ' HG22 ' A' ' 71' ' ' VAL . 24.1 ttm -142.74 113.93 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.11 110.857 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.736 HG22 HG11 ' A' ' 71' ' ' VAL . 53.0 t -95.86 111.1 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 65.22 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.2 m-20 -97.99 132.53 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.885 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.56 125.6 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 52.25 111.131 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.726 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 56.6 m-85 -131.07 9.03 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.2 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -64.77 -73.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.886 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -161.96 179.19 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.861 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -74.32 -60.29 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 51.23 110.833 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.65 -25.67 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -76.94 -23.59 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 53.53 111.116 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -38.57 54.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.074 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -68.14 -54.48 17.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 72.54 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.98 -39.1 67.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 19' ' ' VAL . 41.1 t -75.0 -33.18 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 62.03 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -58.02 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.69 -42.59 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.938 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' ILE . 19.0 mt-10 -61.8 -38.89 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.01 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.22 111.084 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.792 HD12 HD22 ' A' ' 112' ' ' LEU . 51.3 mt -73.85 -29.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 62.43 111.123 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.29 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.088 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 64' ' ' LEU . 35.7 pt -70.62 -24.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.64 49.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.442 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.559 ' O ' HD11 ' A' ' 118' ' ' LEU . . . -69.68 -176.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 72.33 111.101 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -127.84 -37.93 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.59 158.46 44.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.168 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 tp -140.54 103.79 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.542 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.1 t-105 -99.91 137.02 38.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.906 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 122' ' ' MET . 86.9 mt -112.75 -173.99 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 74.25 110.971 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.555 ' HB2' HG21 ' A' ' 104' ' ' VAL . 1.2 mm-40 -86.56 151.88 23.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.916 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.48 142.8 56.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.16 74.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 74.01 112.504 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 101' ' ' GLN . 40.8 t -122.17 100.82 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 64.24 111.1 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mt -99.31 109.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 55.13 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -113.77 87.39 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 111' ' ' VAL . 5.2 tp10 -52.68 -35.71 55.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 71.51 110.928 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -52.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.82 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.14 111.121 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -77.19 -34.34 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.42 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 107' ' ' GLU . 23.8 t -69.14 -44.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 71.25 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.792 HD22 HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -51.51 -52.18 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -66.1 -29.63 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.105 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.85 -24.98 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.18 -33.38 67.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.63 -24.38 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 43.13 111.092 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.64 -6.83 33.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 71.35 112.464 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 95' ' ' ALA . 1.8 tp -51.87 164.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.325 . . . . 53.21 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -103.04 95.68 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.83 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 110' ' ' ALA . 6.6 p -91.54 140.43 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 75.21 111.131 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.542 HG11 ' CH2' ' A' ' 99' ' ' TRP . 53.6 t -140.62 108.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 61.42 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.591 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.13 175.07 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.919 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.8 t0 60.44 31.36 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.876 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -143.83 168.24 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 44.41 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.07 138.46 3.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.41 110.893 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.3 28.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 43.13 112.318 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.05 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.1 mm -98.54 -21.19 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.132 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -76.24 -27.33 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 70.12 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.619 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.2 tp -67.21 -57.54 10.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 64.11 110.943 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.77 -7.43 21.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 74.1 112.356 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.88 -30.16 22.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.898 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.52 -30.47 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.82 30.45 3.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 75.12 112.469 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.0 mt -86.2 -24.86 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 73.33 110.935 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -53.32 172.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.53 111.121 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.845 0.355 . . . . 72.23 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 138.78 57.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 60.22 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -113.84 -26.37 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.84 150.33 29.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.32 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.85 -23.47 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.862 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.8 pt -52.44 -27.61 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.23 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.94 -39.37 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 53.12 111.115 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.42 -32.95 49.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 64.1 112.509 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.39 -30.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 62.31 111.158 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.12 -27.38 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -87.71 -20.71 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.131 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -85.42 -67.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.872 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.728 HG23 ' OD2' ' A' ' 72' ' ' ASP . 1.7 t -128.54 132.15 48.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -109.01 104.02 13.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 m -139.43 141.62 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.169 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.417 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.1 mp -132.49 136.42 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 60.44 111.106 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -129.06 131.71 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 32.42 111.095 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 135.45 39.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 86' ' ' VAL . 43.4 t -106.04 119.6 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.45 111.145 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.38 48.11 5.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.475 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.3 119.73 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 63.24 111.096 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -123.96 -175.51 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 63.35 110.859 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.29 43.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 64.23 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.93 87.55 4.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 50.15 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 71.23 112.34 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.44 23.93 11.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.88 160.78 47.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 63.24 110.856 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.8 -18.77 36.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 74.54 112.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -76.95 -27.3 54.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -88.19 -45.59 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.908 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 8.6 ptm180 -53.48 -33.4 54.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 65.45 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.1 p -77.15 -36.2 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.138 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttm -58.53 -61.7 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -64.56 -21.05 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.65 -47.27 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 50.9 mt -67.36 -40.56 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.05 -46.84 87.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 64.25 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.66 -53.73 54.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.816 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -57.56 -25.38 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.29 53.91 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 44.41 112.494 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -124.33 168.25 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 74.44 110.926 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.07 114.38 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.889 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.8 OUTLIER -108.89 142.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.05 111.166 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -129.44 77.96 76.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 63.05 111.144 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.83 12.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 73.12 112.322 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.83 122.21 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.147 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 152.86 47.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 75.33 110.906 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.72 24.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 52.03 112.335 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.31 -34.25 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.635 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.54 -5.74 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.124 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -55.22 100.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 52.41 111.067 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.38 20.46 15.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 72.1 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -136.89 170.55 15.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 75.32 110.912 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 119.62 35.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.183 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -111.38 116.95 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.936 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt 58.34 22.88 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.932 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.48 6.46 66.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 53.41 112.478 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.561 ' HG3' HG23 ' A' ' 43' ' ' VAL . 43.0 mm-40 -105.98 133.85 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 74.24 110.912 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.61 142.11 57.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.34 110.855 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.95 155.47 20.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 73.55 112.485 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -148.23 138.49 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 72.23 110.933 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.08 -26.35 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.116 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -161.26 152.14 18.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.33 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.6 -15.51 61.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.894 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 11.76 21.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.166 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -113.08 -20.6 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.876 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.44 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -82.7 133.16 49.76 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 75.52 111.095 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.5 Cg_endo -69.79 -42.08 3.69 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 74.1 112.369 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.76 151.52 45.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -101.13 144.52 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.5 p -91.29 144.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 72.52 111.078 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD2' HG23 ' A' ' 13' ' ' THR . 7.4 t70 -91.93 -37.43 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.863 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 ttp -140.35 114.16 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 98' ' ' LEU . 32.3 t -80.77 106.9 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.12 111.136 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.65 99.7 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.8 107.46 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.143 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.672 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 16.9 m-85 -119.8 -9.29 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -51.55 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 54.44 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -174.77 178.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.887 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.5 p -68.11 -53.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.12 -36.63 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.834 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.87 -28.7 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.12 111.073 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -42.61 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.537 ' CZ3' HD12 ' A' ' 112' ' ' LEU . 58.2 t-105 -63.09 -54.48 37.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.76 -39.24 61.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 72.25 112.523 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 19' ' ' VAL . 58.6 t -75.93 -34.27 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 64.13 111.078 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.66 -54.21 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.048 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -59.45 -42.03 91.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.68 ' HB3' HD11 ' A' ' 64' ' ' LEU . 1.8 mt-10 -58.59 -45.96 88.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.913 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' CB ' ' A' ' 95' ' ' ALA . . . -59.84 -39.38 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 65.24 111.111 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.754 HD12 HD22 ' A' ' 112' ' ' LEU . 48.6 mt -68.54 -28.44 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.32 111.119 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.15 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.22 111.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 HD12 ' A' ' 64' ' ' LEU . 40.3 pt -83.01 -27.83 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.25 111.132 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.79 58.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.474 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.674 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -70.25 -169.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 55.23 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' NZ ' HG21 ' A' ' 13' ' ' THR . 21.0 mtmt -130.0 -40.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.15 110.868 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -142.1 158.43 43.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.117 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 120' ' ' VAL . 2.9 tp -140.07 121.89 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.546 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.9 t-105 -120.37 126.93 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 64.53 110.866 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.646 ' HB3' HG11 ' A' ' 104' ' ' VAL . 50.3 mt -99.95 -175.51 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 45.14 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.457 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.8 tp60 -85.85 135.21 33.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.896 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.2 125.05 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.14 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.19 20.28 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.499 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG11 ' HB3' ' A' ' 100' ' ' LEU . 9.5 p -116.32 145.32 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 74.2 111.127 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 61.9 mt -143.33 101.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 70.34 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -120.35 90.84 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.922 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 111' ' ' VAL . 70.2 tt0 -53.08 -32.78 48.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.853 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -69.4 -53.71 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.899 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.22 -27.72 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.126 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.16 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.088 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.6 t -73.35 -43.32 56.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.82 -53.75 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.925 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.04 -34.21 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 64.14 111.118 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -67.68 -31.33 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.81 -47.79 76.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -80.75 -24.23 38.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 72.52 111.154 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.98 -5.39 36.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 60.31 112.488 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.674 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.88 163.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 61.32 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.43 95.48 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.853 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.489 HG23 HD23 ' A' ' 98' ' ' LEU . 6.6 p -91.65 143.28 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.055 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.546 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.7 t -144.71 109.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.44 111.108 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.79 177.19 4.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.931 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 t70 51.95 35.01 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 62.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -144.79 159.32 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -158.3 133.09 5.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 75.33 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 54.1 Cg_endo -69.73 -16.59 37.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 52.35 112.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.45 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.9 mt -98.32 -18.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.32 111.15 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 25.4 tt0 -74.08 -28.06 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.3 tp -69.14 -57.68 7.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 61.42 110.916 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.9 Cg_endo -69.73 -7.29 20.68 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.64 2.227 . . . . 75.41 112.351 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -51.93 -29.76 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 71.04 110.935 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -88.69 -30.85 18.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.893 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.95 34.92 5.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 45.55 112.448 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 133' ' ' LEU . 8.3 mp -115.27 -26.91 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.767 0.317 . . . . 73.11 110.92 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.613 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -52.58 150.59 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.094 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.959 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.878 0.37 . . . . 65.43 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.12 154.57 25.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -79.49 113.68 17.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -151.56 178.55 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.851 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.27 -22.7 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.894 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 pt -52.6 -27.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.54 111.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.97 -36.98 65.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.155 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.12 44.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 60.13 112.526 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -75.86 -30.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 65.1 111.135 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.32 -26.97 26.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.941 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.542 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -87.88 -21.65 24.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 71.41 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 t -84.14 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -128.34 143.52 51.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.23 111.153 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.51 103.93 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -139.48 143.46 37.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 63.04 111.133 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 41' ' ' TYR . 3.8 mp -130.26 118.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 62.11 111.12 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -112.85 124.95 53.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.12 111.088 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.842 HD23 ' HB2' ' A' ' 21' ' ' ALA . 1.3 tp -94.28 135.45 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.88 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.73 117.5 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.112 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.23 74.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.12 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.842 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -110.03 155.07 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 74.32 111.11 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -168.62 -169.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -95.0 44.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -109.91 83.41 2.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 74.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 74.52 112.374 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -97.34 24.82 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -132.43 159.53 71.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.55 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.8 -14.39 35.89 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 64.42 112.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -26.21 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.889 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.52 -46.72 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.912 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 16.4 ptp180 -53.44 -34.05 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.24 110.828 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 77' ' ' PHE . 97.5 t -77.32 -36.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 60.44 111.092 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ttt -57.81 -63.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.17 -22.31 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.923 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.0 -51.37 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 16' ' ' ILE . 97.1 mt -64.06 -35.65 81.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.935 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.62 -37.92 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.76 -55.84 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -59.45 -25.37 64.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 71.25 0.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 53.34 112.528 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 33.0 m-85 -136.45 168.89 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 72.42 110.9 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -89.79 103.74 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.798 HG12 ' HD3' ' A' ' 45' ' ' PRO . 93.1 t -100.25 130.08 50.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 73.52 111.128 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mt -129.42 79.37 74.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 73.2 111.169 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.798 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.72 149.38 67.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 75.52 112.396 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.13 121.75 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 75.23 111.1 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.578 ' HB2' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -146.73 151.87 43.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 74.33 110.863 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.86 31.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 44.43 112.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -106.54 -26.36 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.918 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 47' ' ' SER . 10.7 m -89.01 11.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.12 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.41 82.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.09 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 2.77 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 63.15 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -121.59 159.34 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 74.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.54 111.14 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.38 110.41 21.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 63.3 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt 59.49 20.62 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.23 -9.68 54.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 62.41 112.493 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.7 123.89 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 62.02 110.896 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -60.83 129.16 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.75 172.06 43.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 75.42 112.477 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -156.23 136.66 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 72.03 110.943 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -57.94 -25.18 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 72.44 111.047 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -172.59 164.4 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.115 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 93' ' ' ILE . 4.1 pp -64.71 -15.45 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.885 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 12.05 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.55 111.094 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -112.08 -20.84 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.866 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -86.0 132.91 42.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 72.12 111.093 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.74 -42.69 3.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.719 2.279 . . . . 63.23 112.357 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.03 151.76 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 71.5 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -101.74 133.07 47.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.884 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.3 p -74.09 144.13 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.137 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -95.14 -33.92 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.797 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.2 ttp -139.8 111.64 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.405 HG22 HG11 ' A' ' 71' ' ' VAL . 24.0 t -88.6 123.62 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.102 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -111.23 121.11 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.04 110.879 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -107.49 116.55 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.22 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 32' ' ' VAL . 66.8 m-85 -120.07 -9.09 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -51.32 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -156.08 179.52 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 73.03 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.3 p -73.88 -56.09 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 54.33 110.867 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.3 -28.37 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 53.12 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.69 -26.58 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.093 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -42.01 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 63.23 111.073 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -66.24 -53.75 33.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.72 -39.92 77.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.1 112.472 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 82' ' ' ALA . 76.8 t -75.33 -35.92 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 73.35 111.155 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.3 48.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.12 111.143 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -59.28 -42.09 90.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.881 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.803 ' HB3' HD21 ' A' ' 64' ' ' LEU . 4.7 mt-10 -60.42 -46.56 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 65.25 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.713 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.35 -50.05 71.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.123 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.39 -32.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.159 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.9 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 43.55 111.103 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.029 HD13 HD13 ' A' ' 64' ' ' LEU . 33.0 pt -74.15 -30.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.108 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.04 60.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.713 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -69.61 178.17 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 61.21 111.111 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.29 -34.48 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 60.2 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.472 ' OG1' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -149.05 157.88 43.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 53.14 111.169 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.6 tp -138.76 132.47 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 65.34 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.4 t-105 -129.96 142.88 50.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 63.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 122' ' ' MET . 23.3 mt -119.4 -173.86 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.91 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.655 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.7 mm-40 -80.36 169.55 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -86.89 133.05 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.931 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.83 -12.24 68.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.488 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 101' ' ' GLN . 10.6 p -90.19 141.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 41.13 111.147 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.7 mt -135.48 105.4 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 62.22 111.121 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.07 90.26 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 111' ' ' VAL . 22.1 tt0 -60.72 -36.09 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -40.9 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 61.53 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.76 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.047 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.769 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -69.97 -33.85 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 44.03 111.113 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.7 t -76.12 -45.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.27 -35.11 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 63.21 110.884 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -86.08 -30.65 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 51.33 111.075 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.98 -33.05 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.835 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.79 -35.15 76.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.885 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.3 -24.05 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 64.15 111.141 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.13 -10.87 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 71.55 112.52 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -51.81 160.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 73.01 110.951 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -104.52 94.88 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.823 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -92.44 134.14 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.095 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.467 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -137.56 108.11 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.088 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 100' ' ' LEU . 1.2 ptt? -107.29 -178.58 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.896 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.65 34.7 16.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 70.45 110.835 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -148.02 137.54 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.63 ' HB3' HD12 ' A' ' 102' ' ' LEU . 12.3 t -125.57 129.06 24.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 52.44 110.842 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -15.08 36.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.278 . . . . 73.52 112.366 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 43.41 111.106 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -98.16 -19.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.096 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -70.56 -47.76 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.549 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.4 tp -50.82 -56.93 15.53 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 72.41 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.9 Cg_endo -69.71 -4.35 13.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.261 . . . . 71.33 112.332 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.47 -35.91 39.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 73.52 110.916 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.07 -30.83 6.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -96.12 -23.42 17.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 43.55 112.487 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 64.09 27.29 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 74.12 110.923 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.83 168.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 45.32 111.154 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 63.12 110.875 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 73.21 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -79.07 -52.42 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.51 110.923 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 57.1 26.71 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.21 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -95.03 -65.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.844 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.95 164.35 26.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 72.2 110.859 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 pt -53.17 -27.37 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.127 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.92 -37.12 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.64 -34.3 44.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 75.51 112.507 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -75.73 -29.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.911 0.386 . . . . 73.53 111.177 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.4 -27.15 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 63.05 110.944 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.0 -21.43 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.108 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -84.15 -67.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.862 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.37 141.06 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -114.84 103.7 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.8 125.52 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.108 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 41' ' ' TYR . 4.4 mp -115.51 134.96 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 61.45 111.104 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 70.42 111.144 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 120.72 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' HA ' HG12 ' A' ' 46' ' ' VAL . 67.8 t -90.12 114.22 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 44.04 111.14 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 65.92 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 34.03 112.453 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 45' ' ' PRO . . . -105.99 107.2 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 72.12 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.38 -168.82 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.82 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -92.43 43.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.15 110.818 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -109.65 84.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 74.25 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.42 18.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 71.41 112.296 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.49 25.5 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 72.25 110.851 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -129.6 160.15 66.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 75.34 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.8 Cg_endo -69.8 -16.39 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 63.25 112.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -77.49 -27.96 52.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 45.31 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.71 -44.93 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.89 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.8 ptm180 -53.19 -31.82 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.877 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 77' ' ' PHE . 90.7 t -77.08 -41.23 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.114 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.743 ' HG3' HG11 ' A' ' 43' ' ' VAL . 24.3 ttp -54.81 -60.14 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.862 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.08 -22.45 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.06 -48.44 62.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 16' ' ' ILE . 88.5 mt -70.75 -35.1 72.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 HD13 ' A' ' 56' ' ' LEU . 45.9 mt -65.8 -38.92 90.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.55 -46.47 38.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.891 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -56.92 -25.3 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.85 53.4 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 34.54 112.512 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.598 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.5 m-85 -133.26 176.25 8.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.383 . . . . 65.21 110.928 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.39 114.19 28.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG11 ' HG3' ' A' ' 33' ' ' MET . 58.4 t -105.32 124.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 42.23 111.166 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mt -113.99 77.61 3.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.612 0.72 . . . . 72.42 111.122 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.679 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.73 145.74 58.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 61.54 112.363 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 46' ' ' VAL . 12.4 p -135.42 122.36 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.153 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.4 151.77 40.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 32.55 110.879 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.735 2.29 . . . . 75.12 112.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -106.77 -26.6 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.94 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 47' ' ' SER . 15.1 m -88.91 10.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.3 82.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 42.34 111.107 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.73 1.2 6.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 54.14 112.488 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 156.29 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 63.55 110.916 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.93 108.95 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 54.01 111.107 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 113.93 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.927 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.529 HD13 HD12 ' A' ' 37' ' ' LEU . 4.6 mt 57.04 25.43 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.13 65.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.497 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -94.72 121.37 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 71.25 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -61.87 131.15 48.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.51 42.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.508 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -155.69 136.84 13.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 73.31 110.895 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.16 -37.64 77.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.081 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.8 t -154.3 166.07 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.125 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 89' ' ' GLU . 4.0 pp -68.2 -15.26 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.883 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.87 11.74 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.103 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -117.93 -13.62 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.3 p -99.15 104.72 27.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.05 111.114 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.07 24.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.733 2.289 . . . . 73.14 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.71 126.6 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.74 117.35 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.02 145.41 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 73.11 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.03 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.899 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.4 tpp -141.94 127.32 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.2 t -106.53 97.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.23 133.41 42.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.852 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.58 109.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 32' ' ' VAL . 83.6 m-85 -124.97 -1.92 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.838 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -51.77 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -157.0 177.61 11.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.5 m -74.95 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.45 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.13 -28.54 70.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.52 -25.01 50.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.069 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.1 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.058 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -68.12 -52.47 34.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -36.35 76.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 63.4 112.455 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 82' ' ' ALA . 91.3 t -80.68 -32.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 73.12 111.158 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.611 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -62.7 -49.15 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.061 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB3' HD21 ' A' ' 112' ' ' LEU . 14.4 pt20 -57.33 -43.29 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.683 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.1 mt-10 -65.7 -45.76 81.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.848 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -48.16 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 50.05 111.123 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.61 -30.55 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.42 111.101 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.16 -49.89 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.45 111.025 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 64' ' ' LEU . 36.1 pt -71.27 -30.24 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 52.44 111.128 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.12 55.82 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.448 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.81 177.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.51 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -121.6 -34.62 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -153.23 158.39 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 64.3 111.162 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.9 tp -135.38 129.39 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.655 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.0 t-105 -129.5 129.63 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.917 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD12 ' HG2' ' A' ' 122' ' ' MET . 34.9 mt -112.13 -169.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 44.25 110.893 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -77.73 149.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.6 tp -77.27 137.05 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.2 -22.24 40.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.509 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.89 149.92 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 73.32 111.125 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.0 mt -141.38 112.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.33 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.34 95.52 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.3 pt-20 -51.18 -48.34 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -47.45 85.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.952 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.82 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 60.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.474 ' HB2' ' SD ' ' A' ' 122' ' ' MET . . . -74.31 -46.7 39.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.069 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.0 t -59.76 -39.98 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.11 111.155 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.3 tp -54.04 -58.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 53.03 110.9 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.23 -27.97 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 24.24 111.066 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -66.79 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 70.33 110.926 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.46 -35.82 80.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.927 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.52 -24.12 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.15 111.116 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.78 -8.6 54.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 53.13 112.486 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.6 tp -52.1 149.46 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 72.3 110.907 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 m -81.82 97.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.98 123.46 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 60.4 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.655 HG11 ' CH2' ' A' ' 99' ' ' TRP . 60.1 t -121.93 105.69 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.05 111.173 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.478 ' HG2' HD12 ' A' ' 100' ' ' LEU . 33.1 mtm -104.25 178.46 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.901 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 41.65 40.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HD12 ' A' ' 102' ' ' LEU . 54.7 mmm-85 -150.27 133.39 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.8 t -136.57 129.45 17.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 72.51 110.906 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 54.1 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 2.259 . . . . 74.23 112.369 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.33 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.105 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 39.9 mt -98.36 -18.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.094 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 15.8 tm-20 -74.43 -28.04 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 65.53 110.922 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.653 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.1 tp -68.71 -57.67 7.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 73.3 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.78 -7.18 20.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.651 2.234 . . . . 71.03 112.319 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.86 -29.88 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tp -90.58 -30.49 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.99 37.46 5.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 54.12 112.481 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.34 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 60.31 110.877 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.653 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.65 153.02 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.117 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.957 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.834 0.35 . . . . 74.25 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -156.58 114.07 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 70.1 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -136.19 119.09 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -102.99 54.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.913 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -143.99 160.32 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 pt -52.69 -27.54 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 44.22 111.153 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.09 -38.9 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.102 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.86 -32.96 47.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.471 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.484 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.5 mp -75.25 -30.86 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 73.54 111.175 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.28 -27.79 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.568 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.4 t -86.61 -21.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 54.02 111.149 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 51.4 110.889 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 144.65 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 52.02 111.171 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -117.11 103.79 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.618 HG22 HG23 ' A' ' 71' ' ' VAL . 98.9 m -139.6 143.64 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 41.44 111.148 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -127.28 135.09 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -121.45 132.05 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 62.4 111.153 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.5 tp -110.55 135.56 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.899 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.53 133.32 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 64.42 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.11 51.01 5.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 62.11 112.477 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -87.39 139.42 30.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 63.23 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -157.4 -169.31 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.32 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.12 41.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 62.42 110.837 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -110.24 82.96 2.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 73.31 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.93 17.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 72.05 112.349 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -98.65 26.41 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.851 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -131.6 160.07 69.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 63.4 110.874 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.74 -16.38 37.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.722 2.281 . . . . 60.41 112.359 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.21 -27.68 53.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.816 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.58 -44.67 11.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 73.43 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -30.39 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.857 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 77' ' ' PHE . 92.7 t -77.1 -35.87 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 52.34 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 37' ' ' LEU . 2.5 tpt -61.44 -60.23 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.872 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -24.87 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 61.34 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.46 31.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 60.31 110.919 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 16' ' ' ILE . 58.6 mt -67.06 -36.99 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 65.44 110.889 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.734 HD12 HD22 ' A' ' 56' ' ' LEU . 25.9 mt -70.06 -28.94 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.926 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.77 -55.97 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.861 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.499 ' CD ' ' HB1' ' A' ' 136' ' ' ALA . 12.3 mm100 -57.69 -25.24 60.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 45.14 110.883 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.68 43.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -107.19 172.88 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 55.32 110.928 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -101.93 110.29 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG11 ' SD ' ' A' ' 33' ' ' MET . 18.8 t -107.1 147.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.122 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -135.57 80.45 44.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.631 0.729 . . . . 75.33 111.146 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.14 39.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 64.45 112.375 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -133.52 121.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 70.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.72 151.95 43.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 71.14 110.819 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.76 26.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 64.42 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -107.0 -31.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 70.24 110.919 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 m -81.48 0.48 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 61.12 111.116 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -63.65 90.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.14 111.067 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.48 1.61 10.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 63.24 112.492 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -116.54 177.75 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 63.24 110.897 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.26 103.61 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.157 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -88.86 112.84 23.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.899 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 37' ' ' LEU . 4.7 mp 56.46 29.44 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.13 -3.89 77.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 44.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 43.4 mm-40 -94.68 126.34 39.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 62.35 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -67.38 119.24 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 64.13 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.23 171.08 43.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 44.23 112.468 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -155.95 135.7 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 71.22 110.91 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.11 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -150.38 147.23 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.3 111.142 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.05 -15.2 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.973 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.78 12.68 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.106 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -112.8 -20.62 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.89 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -79.66 132.95 59.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 54.55 111.173 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.72 -42.56 3.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 62.43 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.08 130.94 45.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 54.2 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -91.22 117.54 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 54.02 110.935 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.866 HG21 ' HB2' ' A' ' 17' ' ' ALA . 8.0 p -74.26 144.57 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 54.21 111.133 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 9' ' ' ILE . 7.8 t0 -97.69 -24.14 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.842 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.482 ' H ' HG22 ' A' ' 71' ' ' VAL . 12.6 ttp -139.14 113.52 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 71' ' ' VAL . 72.4 t -97.23 114.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.54 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' OD1' HG23 ' A' ' 16' ' ' ILE . 1.6 m-20 -98.7 129.2 45.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 44.04 110.881 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -116.15 116.4 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 70.42 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.782 ' CE2' HG11 ' A' ' 32' ' ' VAL . 72.1 m-85 -121.32 -6.3 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -51.1 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.91 -179.76 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -74.2 -55.2 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.838 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.41 -27.37 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.919 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 71.25 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.27 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.099 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 112' ' ' LEU . 52.8 t-105 -65.36 -54.28 31.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.57 55.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 64.35 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 82' ' ' ALA . 38.4 t -78.51 -38.18 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 61.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -58.71 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.102 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -53.19 -43.13 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.51 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.7 mt-10 -58.42 -43.18 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 60.03 110.893 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -68.36 -38.79 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.4 111.073 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 112' ' ' LEU . 34.4 mt -70.78 -25.24 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.24 111.146 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.6 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 54.11 111.13 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 64' ' ' LEU . 25.2 pt -76.99 -30.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.04 78.72 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -84.16 -173.12 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 41.13 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.96 -38.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.874 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.38 158.29 43.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.148 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 tp -136.51 119.22 16.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.753 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.6 t-105 -118.07 137.79 52.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.945 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 122' ' ' MET . 51.8 mt -110.59 -173.1 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.731 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.5 tp60 -89.41 125.93 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.659 HD22 HD12 ' A' ' 128' ' ' ILE . 2.5 tp -51.75 114.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.07 5.89 16.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 63.11 112.507 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 101' ' ' GLN . 7.2 p -126.37 153.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 72.31 111.121 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.3 mm -137.26 118.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.15 111.15 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 4.3 m120 -121.13 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 61.45 110.878 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 111' ' ' VAL . 29.4 tt0 -58.84 -47.27 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.924 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -53.45 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 74.01 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.91 -30.22 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 111.075 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.86 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 52.42 111.117 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' GLU . 33.0 t -53.68 -43.49 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.133 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -51.32 -58.73 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 65.51 110.93 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.63 -33.65 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 35.12 111.098 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.28 -30.52 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.99 -46.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -74.11 -24.57 59.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.069 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.8 27.07 7.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 45.22 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.23 155.33 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.351 . . . . 54.04 110.908 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -87.62 100.01 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.5 110.921 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.551 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 20.7 t -91.52 143.24 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.085 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.753 HG11 ' CH2' ' A' ' 99' ' ' TRP . 98.3 t -149.64 105.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 54.55 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 100' ' ' LEU . 7.9 ptt? -110.23 -178.37 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 t0 51.18 32.67 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.547 ' HA ' HD12 ' A' ' 102' ' ' LEU . 40.9 mmt180 -152.41 141.29 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 128' ' ' ILE . 31.6 p -127.6 143.98 49.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 74.43 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.9 Cg_endo -69.73 -24.13 30.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 71.12 112.361 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.07 95.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.154 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.659 HD12 HD22 ' A' ' 102' ' ' LEU . 62.4 mt -98.51 -22.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.159 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 3.9 tp10 -72.16 -47.23 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.6 tp -51.1 -56.79 17.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.64 0.733 . . . . 64.43 110.912 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.78 -4.36 13.88 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.678 2.252 . . . . 72.41 112.378 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.27 -35.8 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.838 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.9 mt -114.2 -30.95 6.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.95 -22.92 19.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 73.5 112.518 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.18 24.95 12.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 74.45 110.895 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.499 ' HB1' ' CD ' ' A' ' 39' ' ' GLN . . . -56.52 -178.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 55.4 111.128 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 45.6 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.904 -179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.816 0.341 . . . . 71.05 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -116.62 158.75 23.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -127.47 65.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 63.14 110.876 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -57.39 -61.23 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.58 ' OD1' ' HB3' ' A' ' 7' ' ' ALA . 4.7 p30 -130.26 -178.33 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 65.54 110.818 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 pt -53.09 -27.59 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 65.24 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . . . -54.92 -36.9 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.42 43.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 50.43 112.489 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -75.65 -30.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 52.2 111.141 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.27 -27.18 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.903 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.11 -21.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.116 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 t -84.74 -66.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 61.22 110.835 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -127.56 144.57 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.138 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -116.47 103.97 10.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.1 m -139.52 135.39 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 36' ' ' LEU . 4.2 mp -128.04 129.14 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.101 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -121.64 139.69 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 61.03 111.107 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.97 135.42 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 72.41 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG21 HG13 ' A' ' 86' ' ' VAL . 95.8 t -103.58 127.7 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 52.13 111.094 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.08 60.91 3.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 41.4 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 117.36 28.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 75.23 111.097 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 p -126.77 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 53.3 110.894 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.96 43.34 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 71.22 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -109.71 83.59 2.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.698 . . . . 63.52 110.894 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.21 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 72.43 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -97.6 25.68 5.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 55.33 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -130.49 160.17 67.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.14 110.909 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.81 -15.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 71.21 112.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -27.68 53.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.872 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.63 -45.41 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 72.12 110.912 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 14.3 ptm180 -53.25 -32.64 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.801 HG11 ' CE2' ' A' ' 77' ' ' PHE . 93.6 t -77.23 -36.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 61.42 111.104 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 55' ' ' LEU . 2.2 ttt -57.57 -59.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -66.63 -23.99 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' OH ' HD23 ' A' ' 130' ' ' LEU . 1.3 t80 -68.61 -51.46 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.935 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 HG21 ' A' ' 16' ' ' ILE . 95.4 mt -70.02 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.515 . . . . 74.1 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.5 mt -67.72 -46.71 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.896 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.12 -41.99 80.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 51.24 110.861 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.516 ' OE1' ' HB1' ' A' ' 136' ' ' ALA . 10.5 mm100 -56.86 -25.42 56.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.941 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 50.93 1.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 73.42 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 16' ' ' ILE . 60.5 m-85 -124.91 -176.18 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 74.33 110.927 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -106.87 112.7 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.857 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 ' HD3' ' A' ' 45' ' ' PRO . 44.9 t -107.73 130.62 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 75.2 111.09 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.6 mt -127.14 76.51 76.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 72.41 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.73 139.62 40.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 71.4 112.319 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -132.02 122.18 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 61.21 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.74 151.5 42.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 71.53 110.838 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.85 24.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.34 112.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -106.28 -33.83 7.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.599 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -76.67 -10.43 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.148 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.35 104.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 53.52 111.082 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.4 25.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 71.52 112.511 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -136.41 169.83 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 65.11 110.952 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.71 114.71 25.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.154 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' HE1' ' A' ' 33' ' ' MET . 14.9 tp -106.4 112.0 24.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.925 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.8 mp 58.48 22.73 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 63.45 110.892 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.55 -5.57 70.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 73.21 112.514 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -94.71 128.68 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 71.23 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -58.3 141.13 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.893 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.599 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -94.46 153.44 21.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.615 ' CG ' HG22 ' A' ' 67' ' ' VAL . 13.4 m-85 -144.49 133.95 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 73.33 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.46 -33.22 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 64.42 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.6 p -149.21 146.09 27.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.165 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.29 -32.05 68.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.914 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -74.8 -4.66 38.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 61.34 111.085 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.34 -5.82 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG22 ' CG ' ' A' ' 61' ' ' TYR . 22.2 t -89.16 132.39 37.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.721 . . . . 73.11 111.106 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.65 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 70.3 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -77.68 155.34 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.9 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -103.09 128.62 49.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.939 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 17' ' ' ALA . 7.2 p -74.37 137.46 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.23 111.141 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -93.1 -31.07 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -137.3 112.17 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 60.11 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 71' ' ' VAL . 81.2 t -87.63 129.86 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.4 111.158 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.52 112.43 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 83' ' ' ALA . 22.3 t -109.25 105.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.091 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.801 ' CE2' HG11 ' A' ' 32' ' ' VAL . 24.1 m-85 -125.87 -0.81 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.03 110.9 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -52.0 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -153.48 177.39 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.845 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 p -71.12 -54.87 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.02 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.94 -26.73 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.64 -24.72 50.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 71.45 111.092 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HA ' HG11 ' A' ' 76' ' ' VAL . . . -51.69 -38.83 56.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.12 111.111 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -69.92 -53.49 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.07 82.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 64.34 112.461 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 19' ' ' VAL . 91.1 t -78.86 -28.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 53.15 111.144 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.622 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -66.28 -51.5 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 71.01 111.112 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.5 pt20 -57.4 -42.57 82.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.883 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.98 -47.01 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 52.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -65.21 -42.7 93.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.093 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD22 ' A' ' 118' ' ' LEU . 37.4 mt -69.41 -30.38 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.33 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.98 78.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.101 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.484 HG22 ' HB2' ' A' ' 65' ' ' ALA . 50.9 pt -77.45 -24.68 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 64.43 111.133 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.63 63.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 62.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.66 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -79.51 179.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 72.32 111.121 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -128.64 -39.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.925 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.61 157.8 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 45.34 111.164 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.1 tp -138.88 126.12 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.634 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.3 t-105 -125.14 135.11 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.33 110.922 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 76' ' ' VAL . 63.0 mt -108.95 -174.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.914 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.0 tp-100 -81.24 149.89 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 120.39 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.41 28.05 7.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.517 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.28 149.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 65.03 111.16 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.79 101.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 7.5 t-20 -120.6 88.66 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.891 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 111' ' ' VAL . 17.1 pt-20 -51.53 -47.96 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.27 -46.62 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.912 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -64.37 -28.02 69.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.06 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.57 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -77.07 -40.89 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.168 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 87' ' ' ALA . 28.4 tp -53.18 -47.86 68.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.877 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -71.26 -30.68 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.135 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -71.62 -30.15 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.855 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.23 -35.0 77.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.868 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.7 -24.14 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 61.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.33 -13.14 30.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 72.25 112.492 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.66 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.3 tp -51.74 149.51 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 73.02 110.882 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 99.89 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.65 133.08 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.117 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.634 HG11 ' CH2' ' A' ' 99' ' ' TRP . 46.0 t -133.93 110.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -111.27 177.35 4.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.876 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.3 t0 57.16 29.92 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -151.96 154.18 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.0 t -155.65 129.03 4.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 64.14 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.7 Cg_endo -69.74 -13.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 72.24 112.352 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.5 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.085 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.34 -20.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 72.35 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 6.4 tp10 -70.04 -48.13 59.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.899 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.6 tp -51.1 -56.8 17.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.606 0.717 . . . . 73.51 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.78 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 2.24 . . . . 73.54 112.337 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.9 -36.24 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.925 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mt -114.01 -30.84 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.65 -23.34 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 72.51 112.503 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.03 25.25 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 71.31 110.905 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.516 ' HB1' ' OE1' ' A' ' 39' ' ' GLN . . . -53.47 174.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.34 111.132 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.44 110.89 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.82 0.343 . . . . 74.11 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -133.99 81.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.41 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -138.65 171.99 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.66 55.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.22 159.95 29.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 53.21 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt -52.72 -27.46 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 75.45 111.149 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.109 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.35 -35.16 43.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 53.35 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -75.39 -30.11 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.42 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.51 -25.98 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.33 110.955 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -89.51 -19.76 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.157 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 t -86.35 -67.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 m -128.56 139.8 52.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 55.23 111.184 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.848 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.433 HG22 HG23 ' A' ' 71' ' ' VAL . 58.5 m -141.16 122.45 14.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 45.32 111.145 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -115.5 137.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -128.25 124.87 37.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.119 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 21' ' ' ALA . 1.7 tt -95.77 135.43 37.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 62.03 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG21 ' CG1' ' A' ' 86' ' ' VAL . 94.4 t -95.76 130.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 73.52 111.143 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 58.71 10.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 70.41 112.46 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.58 105.61 17.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 73.45 111.095 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t -112.53 -169.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.858 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.45 46.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 71.52 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -109.74 83.87 2.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 74.22 110.88 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.24 18.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.69 2.26 . . . . 74.52 112.336 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.91 22.69 8.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.877 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -130.3 160.42 65.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 65.33 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.99 35.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 50.52 112.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.03 -25.65 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 54.42 110.851 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.498 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.7 t80 -88.76 -46.11 9.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 75.34 110.958 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -53.71 -35.27 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.909 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG21 ' CD2' ' A' ' 77' ' ' PHE . 26.7 m -77.11 -28.7 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.105 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.4 ttp -66.0 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -61.0 -24.03 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -50.51 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.936 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 16' ' ' ILE . 91.4 mt -69.75 -29.51 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 60.11 110.934 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.6 mt -66.32 -46.75 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.72 -41.51 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 51.44 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -56.57 -24.81 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 70.53 110.936 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.63 3.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.475 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 53.7 m-85 -116.12 154.64 29.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 73.34 110.902 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.53 117.09 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.867 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 95.6 t -110.07 132.49 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 70.11 111.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.21 79.74 72.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.73 . . . . 74.1 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.72 112.78 3.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.42 112.41 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 61' ' ' TYR . 48.3 t -105.71 122.09 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 70.34 111.14 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -146.85 151.96 43.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.736 0.779 . . . . 61.55 110.833 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 61.43 112.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.41 -27.87 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.03 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' SER . 14.1 m -86.91 8.35 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.104 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -68.72 83.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.135 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 5.3 6.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 72.53 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -123.19 177.48 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 104.31 8.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.086 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.34 118.11 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.9 mp 58.77 22.22 9.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 52.34 110.912 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.09 69.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.439 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -94.91 129.18 42.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 74.22 110.936 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -62.03 130.16 44.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.925 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.56 167.6 35.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 75.33 112.525 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.6 m-85 -152.93 137.65 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 61.53 110.902 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.61 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.18 -25.91 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 t -170.19 156.77 6.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.166 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.145 HD13 HD13 ' A' ' 93' ' ' ILE . 4.0 pp -64.47 -15.47 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.86 14.2 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 34.3 111.126 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.72 -21.19 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.853 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -91.66 132.98 31.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 74.43 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.4 Cg_endo -69.78 -42.31 3.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 75.42 112.381 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.89 146.13 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -100.42 126.06 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 9.8 p -82.13 140.64 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 52.1 111.177 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.8 -26.85 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.896 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.438 ' HE2' ' HB2' ' A' ' 99' ' ' TRP . 7.8 tpt -134.79 132.21 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.8 111.85 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.118 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -93.38 124.35 37.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.869 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.3 t -117.71 102.66 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 53.33 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.721 ' CD2' HG21 ' A' ' 32' ' ' VAL . 80.7 m-85 -120.09 -1.27 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -156.07 177.97 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.2 t -75.08 -54.51 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.12 -28.01 69.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.42 -24.95 64.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 42.21 111.141 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.26 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 44.13 111.11 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.0 t-105 -72.15 -54.59 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.89 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.67 -36.65 86.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 61.34 112.532 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.73 ' CG1' HG21 ' A' ' 19' ' ' VAL . 20.8 t -75.27 -34.87 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 43.22 111.12 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.23 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.11 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -51.94 -45.28 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.73 -44.68 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.59 85.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 42.33 111.058 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.763 HD12 HD22 ' A' ' 112' ' ' LEU . 45.6 mt -69.65 -37.99 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.12 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.26 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 43.24 111.117 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.145 HD13 HD13 ' A' ' 64' ' ' LEU . 37.4 pt -73.7 -29.32 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 75.04 111.077 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.42 57.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.4 112.497 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.649 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.22 -170.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.41 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -123.11 -35.25 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 m -150.84 158.27 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.11 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.9 tp -140.97 134.13 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 54.33 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 121' ' ' VAL . 5.0 t-105 -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.911 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.8 mt -121.6 -173.7 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.901 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.726 ' O ' HG12 ' A' ' 104' ' ' VAL . 10.2 tp60 -79.17 157.89 27.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.895 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.26 133.21 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.955 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.53 -14.9 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 61.03 112.465 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 101' ' ' GLN . 8.7 p -90.61 148.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 64.13 111.134 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.34 107.61 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.131 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 18.2 t-20 -115.93 91.0 3.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 54.21 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.73 ' O ' HG23 ' A' ' 111' ' ' VAL . 46.1 tt0 -51.62 -37.68 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.922 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -52.75 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.32 110.927 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.47 -27.1 46.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.43 111.126 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.44 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.066 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.8 t -66.27 -43.63 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.16 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.63 -52.31 48.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.51 -29.14 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.095 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -33.61 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.35 110.923 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.854 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -78.28 -24.23 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 60.1 111.075 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.2 12.13 49.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 62.52 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -70.38 159.66 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 73.43 110.86 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.1 t -92.26 96.86 10.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.824 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -97.0 122.6 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 99' ' ' TRP . 39.3 t -124.58 105.78 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 52.53 111.111 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.685 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -109.6 -177.93 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.921 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 51.91 36.25 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.878 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.0 mtt180 -146.81 138.46 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 102' ' ' LEU . 7.0 p -117.24 117.98 36.17 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.32 110.945 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.69 -17.54 37.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 61.21 112.35 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mm -98.76 -18.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.205 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 126' ' ' PRO . 3.5 mm-40 -75.42 -32.7 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.929 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.3 tp -64.49 -57.32 17.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.634 0.731 . . . . 63.55 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.7 Cg_endo -69.71 -6.7 19.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 72.35 112.36 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.86 -29.77 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.85 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.47 -30.16 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.33 38.98 3.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 63.13 112.508 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.3 mp -116.08 -32.56 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 75.13 110.925 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.65 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -57.28 161.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 70.33 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.914 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.846 0.355 . . . . 63.41 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.9 139.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.903 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -111.92 71.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 45.11 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -139.52 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -108.54 -19.89 13.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 pt -52.03 -27.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.05 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.0 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 63.21 111.078 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.95 -32.42 49.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 74.2 112.498 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -75.91 -35.07 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 71.33 111.165 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.51 -30.05 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 64.52 110.921 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.539 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -83.42 -24.49 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.52 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.0 t -82.1 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.824 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -128.26 141.92 51.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.63 104.33 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.4 m -139.17 128.86 24.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.159 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -116.95 131.8 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.55 111.112 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.31 141.52 51.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.32 111.138 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 19' ' ' VAL . 15.1 tp -114.55 134.6 54.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 t -103.58 132.28 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 52.51 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 49.36 45.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.486 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 18' ' ' LEU . . . -85.13 143.37 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 31.43 111.074 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -176.63 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 52.23 110.884 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -92.15 43.23 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -107.67 91.71 7.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.531 0.681 . . . . 73.35 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.42 21.01 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 62.42 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -100.25 23.57 9.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.847 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -120.72 156.9 55.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 73.23 110.891 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.2 Cg_endo -69.7 -23.94 30.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.13 112.395 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -77.21 -19.41 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -85.97 -48.95 8.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 51.53 110.922 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 1.6 ptp85 -53.2 -36.89 61.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 48.7 t -76.6 -33.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 54.21 111.126 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.533 ' SD ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.73 -64.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.873 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.39 64.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.845 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.7 -45.74 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 16' ' ' ILE . 60.4 mt -72.62 -31.33 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 63.3 110.94 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.06 -46.65 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.943 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.4 -33.91 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.14 110.874 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.1 -25.34 66.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 62.33 110.91 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 47.85 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.489 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 16' ' ' ILE . 62.3 m-85 -121.25 -176.7 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 74.21 110.948 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -108.35 110.39 21.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.858 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.748 HG12 ' HD3' ' A' ' 45' ' ' PRO . 47.5 t -104.37 131.83 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 55.12 111.129 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -128.47 77.84 76.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 72.5 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.748 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.7 135.85 31.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 74.24 112.361 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.87 122.02 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 151.71 42.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 73.4 110.858 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 71.42 112.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -106.39 -32.79 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.12 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.73 -4.0 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -59.78 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.086 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.67 17.45 10.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 51.34 112.462 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -136.87 163.72 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 73.33 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -127.57 108.94 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 62.33 111.127 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 135.52 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt 59.23 20.39 8.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 43.53 110.863 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.22 3.75 84.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.14 112.439 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -104.56 135.55 45.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 73.22 110.918 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HA ' HG23 ' A' ' 54' ' ' THR . 21.6 tp60 -73.82 140.86 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.3 153.33 20.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 75.53 112.461 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -139.86 138.16 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 70.22 110.971 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -66.44 -31.75 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 31.44 111.081 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.4 p -147.95 150.63 34.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.162 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.036 HD13 HD13 ' A' ' 93' ' ' ILE . 4.2 pp -67.55 -15.11 63.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.919 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.58 11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.114 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -22.71 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -77.49 133.24 67.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 54.55 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.77 -42.11 3.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 72.1 112.367 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -68.09 118.78 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 137.58 47.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.5 t -88.45 144.94 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.168 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -112.17 -24.74 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.85 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -141.81 111.92 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.99 121.7 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.101 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' OD2' HG23 ' A' ' 16' ' ' ILE . 14.5 m-20 -107.06 130.38 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.901 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 t -109.36 117.0 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 45.25 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 9.2 m-85 -115.36 -20.46 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.846 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -51.53 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.857 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -168.06 177.18 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.35 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p -74.9 -46.63 34.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 70.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.5 -31.71 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 74.31 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -69.72 -27.92 65.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.52 111.09 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.85 -38.88 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -66.78 -54.44 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.913 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.34 -40.24 93.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.733 . . . . 64.34 112.433 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 82' ' ' ALA . 60.8 t -73.62 -37.47 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 72.15 111.121 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.73 -55.85 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.156 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -56.16 -42.47 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.891 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -45.88 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 60.23 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.821 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.01 -50.14 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 41.52 111.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.21 -26.09 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 61.24 111.113 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.41 -48.53 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 52.33 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.036 HD13 HD13 ' A' ' 64' ' ' LEU . 48.7 pt -74.48 -25.54 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.51 111.161 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.78 51.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.21 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.76 -178.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 54.21 111.085 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -135.59 -41.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.898 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.92 158.18 44.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 tp -140.37 129.71 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.2 t-105 -127.69 129.33 46.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.972 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.688 HD12 ' HB3' ' A' ' 122' ' ' MET . 47.2 mt -105.53 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.917 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.3 149.6 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.859 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.801 HD13 ' HB2' ' A' ' 125' ' ' CYS . 2.1 tp -56.78 141.86 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.3 26.25 70.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.12 112.496 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -122.38 130.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 72.01 111.143 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -136.48 107.52 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -117.08 89.68 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 54.52 110.882 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -53.23 -28.71 28.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -49.48 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.58 -25.4 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 43.52 111.108 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.676 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -72.53 -52.07 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.087 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.53 -33.07 55.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 63.41 111.15 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 87' ' ' ALA . 20.8 tp -54.62 -28.18 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.39 -39.9 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 53.43 111.14 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -53.96 -39.17 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -53.58 -29.26 36.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.03 -24.12 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 53.34 111.081 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.98 -8.4 36.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 34.53 112.474 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.8 151.08 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 74.25 110.896 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -90.22 100.05 12.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' A' ' 110' ' ' ALA . 12.3 p -91.72 132.1 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.128 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 99' ' ' TRP . 38.7 t -139.0 108.46 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.112 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.688 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.53 172.88 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.871 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' CA ' HD12 ' A' ' 102' ' ' LEU . 23.6 mmt180 -147.91 137.46 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.827 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.801 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -126.07 136.16 28.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 54.34 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -22.64 32.15 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 64.01 112.366 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.57 88.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.108 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 32.6 mt -98.75 -19.09 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -73.39 -29.1 62.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.869 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.579 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.1 tp -68.78 -57.66 7.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 75.41 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.7 -6.98 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 72.23 112.385 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.712 ' CG ' HD12 ' A' ' 133' ' ' LEU . 11.1 ptt180 -51.65 -29.85 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 63.13 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.712 HD12 ' CG ' ' A' ' 132' ' ' ARG . 2.3 mp -96.2 -30.44 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.888 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 45.24 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 43.5 112.469 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.1 mp -116.21 -25.41 7.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 63.24 110.954 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.579 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.92 138.29 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 61.42 111.073 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.856 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.347 . . . . 73.32 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -106.24 97.26 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.911 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -71.89 83.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -92.84 170.56 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.01 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' O ' HD12 ' A' ' 9' ' ' ILE . 4.1 m-20 -90.41 -169.95 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 64.42 110.914 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 pt -53.21 -27.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.158 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.78 -36.25 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 41.15 111.14 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.36 -34.69 44.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 50.12 112.479 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 5' ' ' ASP . 4.2 mp -75.85 -30.05 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 74.13 111.132 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.21 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.918 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.54 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -89.28 -20.9 23.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 75.5 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -84.48 -67.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -128.47 144.69 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.183 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -114.05 103.58 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.584 HG22 HG23 ' A' ' 71' ' ' VAL . 87.7 m -139.88 143.54 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 63.01 111.15 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.49 132.86 67.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.135 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -116.66 136.72 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.14 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.874 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.6 tp -117.64 134.48 54.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 73.41 110.906 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG21 ' CG1' ' A' ' 86' ' ' VAL . 33.0 t -107.64 120.63 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.123 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.72 66.18 1.47 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.499 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.874 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -104.21 88.06 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 75.42 111.074 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 m -98.53 -169.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.876 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -92.72 43.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 74.24 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -109.78 83.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 72.52 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.26 18.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 72.22 112.377 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -97.91 24.81 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.836 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -128.88 160.1 65.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 72.01 110.872 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.52 37.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 44.21 112.337 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -26.74 55.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.895 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.62 -47.96 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 71.21 110.953 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -53.66 -33.76 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 12.2 p -77.24 -32.22 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 61.02 111.134 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.0 ttp -62.71 -62.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.895 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -25.94 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.861 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.685 ' HE1' HE21 ' A' ' 39' ' ' GLN . 0.6 OUTLIER -62.43 -50.85 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.943 -179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' CD1' HG21 ' A' ' 16' ' ' ILE . 93.0 mt -67.17 -41.22 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.35 110.952 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 43' ' ' VAL . 21.5 mt -63.63 -46.75 84.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.948 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.23 -55.08 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.895 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.685 HE21 ' HE1' ' A' ' 35' ' ' TYR . 8.4 mm-40 -56.64 -25.15 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.907 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 69.04 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 75.51 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.92 165.02 28.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 75.14 110.927 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -91.54 115.47 28.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.893 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.66 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.0 t -112.31 138.04 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.8 mt -130.75 75.75 78.3 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 73.31 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.66 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.68 137.9 36.81 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 65.45 112.394 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -133.43 122.4 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 62.23 111.151 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 152.31 45.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 53.32 110.85 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.6 24.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 75.01 112.359 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -33.29 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -79.94 -5.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.02 111.168 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.41 100.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.41 111.127 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.9 19.66 16.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 51.14 112.475 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -130.73 177.72 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 73.41 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.6 123.68 40.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.02 111.19 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.49 108.83 17.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 54.42 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp 59.0 21.84 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 60.25 110.934 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.33 1.35 56.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 43.43 112.525 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.424 ' OE1' HD11 ' A' ' 37' ' ' LEU . 6.6 mp0 -97.08 135.66 38.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 75.14 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -73.28 119.08 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.37 163.35 52.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.54 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -154.71 136.53 14.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 74.52 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.544 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.17 -26.17 66.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 62.12 111.137 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 t -162.44 153.39 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.179 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.949 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -64.7 -15.41 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 60.04 110.879 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 12.4 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 44.54 111.097 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -113.64 -19.92 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.881 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.43 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -84.55 133.24 44.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.13 111.173 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.77 -42.07 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.236 . . . . 71.05 112.387 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -65.07 143.8 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -101.71 127.14 48.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.802 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.3 p -80.17 144.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -30.2 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttp -139.72 118.76 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG22 HG11 ' A' ' 71' ' ' VAL . 87.9 t -100.4 123.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 61.34 111.104 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 16' ' ' ILE . 24.7 m-20 -106.0 141.06 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.867 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.3 t -122.06 116.61 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.738 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 32.0 m-85 -119.69 -9.81 9.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 60.32 110.858 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -51.66 -64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 64.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -176.17 176.84 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 p -66.92 -55.76 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.855 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -57.05 -27.8 62.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.854 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.56 -34.56 72.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.081 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.4 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -68.49 -53.45 23.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.5 110.93 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.97 -33.01 84.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 64.32 112.515 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 82' ' ' ALA . 86.0 t -79.36 -36.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 71.24 111.144 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -61.97 -49.17 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 51.2 111.107 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -57.89 -43.36 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.878 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.76 -47.34 83.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -59.19 -50.23 74.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.11 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.71 -28.02 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.083 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.78 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.4 111.066 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.949 HD13 HD12 ' A' ' 64' ' ' LEU . 48.8 pt -72.47 -25.54 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.157 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.89 52.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 71.11 112.447 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.27 -176.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 63.21 111.089 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -134.51 -41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.867 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 158.23 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.144 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.622 HD23 HG23 ' A' ' 120' ' ' VAL . 7.3 tp -139.91 134.08 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.497 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -130.92 138.09 49.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.924 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.699 HD12 ' CB ' ' A' ' 122' ' ' MET . 29.6 mt -115.48 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 5.8 mm100 -83.93 145.17 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -70.61 132.53 45.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 50.52 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.39 -20.21 50.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 63.43 112.465 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.13 146.55 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 62.53 111.118 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.1 mt -131.86 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.143 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.59 95.66 4.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.05 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.55 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -67.91 -49.04 64.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.33 -25.32 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.11 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -70.51 -52.14 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 65.53 111.111 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.41 -32.88 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.115 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 22.0 tp -54.66 -27.81 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -35.09 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.15 111.04 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.78 80.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.21 110.85 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.74 -26.66 46.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.12 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.53 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.7 -11.72 32.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.523 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.639 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.62 150.42 3.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 74.32 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -88.21 99.88 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 52.14 110.866 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -92.7 133.53 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.108 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG11 ' CH2' ' A' ' 99' ' ' TRP . 35.6 t -139.11 105.87 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.125 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.699 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -108.48 -178.21 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.2 t0 52.07 35.37 16.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.874 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -151.63 135.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.11 110.922 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.7 t -132.93 129.01 20.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 72.53 110.884 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.7 Cg_endo -69.7 -14.56 36.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.286 . . . . 64.44 112.331 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.93 91.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.02 111.11 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mt -98.24 -20.44 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.2 111.157 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 45.9 tt0 -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.22 110.871 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.5 tp -51.56 -57.16 15.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 74.41 110.917 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.76 -4.54 14.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 74.14 112.342 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.432 ' HG3' HD12 ' A' ' 133' ' ' LEU . 0.9 OUTLIER -79.89 -35.89 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.883 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.432 HD12 ' HG3' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -113.78 -30.75 6.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.878 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -96.02 -23.09 18.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 74.12 112.462 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.77 25.53 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 61.33 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.466 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.68 168.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.121 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.875 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mtt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 61.15 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.76 161.21 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.845 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -154.67 177.71 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -169.27 179.05 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 60.41 110.877 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -92.06 -25.07 18.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.823 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 9' ' ' ILE . 8.1 pt -53.41 -27.47 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.15 111.128 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.473 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -35.47 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 50.44 111.116 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.566 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -31.53 54.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.497 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.1 mp -75.82 -30.29 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 71.25 111.157 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.26 -28.06 25.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.933 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.566 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -86.42 -22.32 26.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -88.7 -68.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -128.34 113.76 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.34 111.111 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -92.33 104.27 16.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 64.1 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -139.25 143.42 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.35 111.139 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.73 138.4 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.171 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -123.66 119.5 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 130.4 36.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.73 126.7 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.97 30.4 38.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.756 . . . . 70.53 112.488 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 108.27 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 71.05 111.064 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -118.34 -169.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.847 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.18 43.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.877 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -109.85 83.5 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 70.51 110.885 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 63.34 112.361 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -100.04 24.06 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.843 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 160.08 61.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 60.3 110.882 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.73 -16.15 37.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 62.02 112.345 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.23 -26.27 52.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.48 -46.15 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.958 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 6.1 ptp180 -53.35 -32.57 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 77' ' ' PHE . 96.7 t -77.0 -39.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 64.14 111.08 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.0 ttm -55.33 -60.75 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.921 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -64.37 -22.4 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 74.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.21 -47.21 58.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.708 ' CD1' HG21 ' A' ' 16' ' ' ILE . 74.4 mt -70.49 -30.03 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.725 HD12 HD13 ' A' ' 56' ' ' LEU . 11.0 mt -67.67 -46.8 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.893 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -32.42 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.904 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -63.77 -25.32 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 45.52 110.907 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 32.69 3.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.445 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -110.2 167.62 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.954 0.407 . . . . 73.12 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -99.6 88.88 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 54.2 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.519 HG22 HD21 ' A' ' 37' ' ' LEU . 10.6 m -74.71 145.26 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.127 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -136.32 78.56 44.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 71.52 111.132 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.9 31.68 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 75.41 112.316 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.94 122.26 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.3 111.124 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.37 152.0 45.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.14 110.858 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -8.68 24.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 61.33 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -105.43 -34.44 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.632 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -77.54 -9.79 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.146 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.21 100.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 53.04 111.129 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 17.95 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 63.21 112.502 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.91 177.31 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 74.33 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 108.24 14.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.23 111.113 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 tp -104.69 122.86 46.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 70.02 110.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.725 HD13 HD12 ' A' ' 37' ' ' LEU . 16.8 mt 58.26 24.22 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.902 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.17 -3.22 85.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 41.11 112.496 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -98.48 155.81 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 73.23 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -76.97 140.24 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.632 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -92.16 156.47 23.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.44 112.495 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -145.76 135.79 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.888 0.375 . . . . 74.15 110.945 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.05 -25.93 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.14 111.082 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 t -169.52 152.77 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD12 HG12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -59.04 -21.47 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.875 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -17.19 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 42.12 111.094 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.65 -31.62 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.852 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 64' ' ' LEU . 90.4 t -50.02 108.33 0.98 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 64.03 111.109 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -45.24 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 65.43 112.375 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -69.86 123.58 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -69.09 119.12 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 73.52 110.855 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' H ' ' A' ' 73' ' ' MET . 8.5 p -75.5 144.58 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.104 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.21 -24.95 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.886 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.521 ' H ' HG22 ' A' ' 71' ' ' VAL . 23.5 ttp -147.65 126.68 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.17 118.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.6 119.75 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.844 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.82 114.1 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 32' ' ' VAL . 50.0 m-85 -131.76 7.4 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.522 HH21 ' HB1' ' A' ' 82' ' ' ALA . 45.1 mtm180 -56.08 -74.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -152.07 179.99 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.84 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 t -74.96 -54.34 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.863 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.522 ' HB1' HH21 ' A' ' 78' ' ' ARG . . . -62.8 -27.36 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.4 64.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.33 111.11 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -65.97 -53.73 35.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 55.3 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.97 -38.96 66.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 44.33 112.485 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.37 -35.66 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 62.01 111.113 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -56.25 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.2 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -52.76 -43.31 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.6 mt-10 -62.44 -40.07 95.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.93 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 113' ' ' ALA . 7.6 mt -74.8 -24.24 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.129 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.41 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.3 111.107 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.56 -31.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.13 111.133 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.45 51.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 64.23 112.445 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -63.97 -174.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 44.52 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -126.9 -38.26 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.916 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.26 158.34 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.43 126.11 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -124.27 130.42 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.24 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.653 HD12 ' HB3' ' A' ' 122' ' ' MET . 36.7 mt -109.42 -170.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.926 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -81.41 148.24 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.7 tp -74.62 131.98 41.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 60.11 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.71 -18.02 41.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.481 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.45 136.04 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.12 111.137 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -127.09 111.18 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 53.53 111.126 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 6.6 t-20 -112.65 87.55 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.72 -43.73 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -70.9 -24.42 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.76 -52.15 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 52.53 111.105 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.62 -33.03 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.25 111.143 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.1 tp -55.2 -27.65 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.54 110.919 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.43 -42.27 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 60.5 111.089 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -54.98 -33.59 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -56.24 -25.72 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.88 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.36 -24.09 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.096 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.34 -13.78 25.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 63.3 112.504 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.87 149.78 4.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 53.1 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -90.61 98.76 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.8 p -91.7 123.69 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 53.22 111.137 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.598 HG11 ' CH2' ' A' ' 99' ' ' TRP . 29.8 t -129.62 105.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 65.1 111.128 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.653 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.72 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.889 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t0 52.1 36.81 19.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.873 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.4 mtt-85 -150.36 134.26 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.9 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 14.0 t -129.4 129.29 23.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 70.34 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.87 37.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 63.14 112.357 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.43 96.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.072 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.5 mt -98.18 -20.08 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.1 111.115 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -19.19 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 62.43 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -68.65 -57.61 8.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 75.23 110.905 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.71 -7.28 20.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.734 2.289 . . . . 73.13 112.355 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -51.94 -29.79 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 63.32 110.86 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mt -106.16 -30.37 9.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.2 50.67 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 75.21 112.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.99 -26.45 9.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 73.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.67 144.71 10.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 65.12 111.099 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.854 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.34 . . . . 54.45 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -115.78 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -82.15 -56.97 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -63.61 178.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 63.4 110.9 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.541 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 m-20 59.74 63.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.84 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 pt -52.24 -27.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.112 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.27 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 70.02 111.106 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.79 -33.76 45.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.1 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 5' ' ' ASP . 4.3 mp -75.32 -30.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 74.11 111.137 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 -27.46 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 65.01 110.934 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.57 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.6 t -87.03 -20.95 26.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 63.53 111.142 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.1 t -85.72 -66.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.828 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -128.31 137.63 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.145 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.3 103.53 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 64.33 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.508 HG22 HG23 ' A' ' 71' ' ' VAL . 73.1 m -139.69 126.98 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.4 111.14 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.665 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -117.46 139.72 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 61.34 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.43 131.52 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 51.04 111.066 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 45' ' ' PRO . 15.5 tp -102.39 135.19 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG12 ' HD2' ' A' ' 78' ' ' ARG . 88.6 t -110.43 133.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.112 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.78 45.72 26.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 52.44 112.486 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 108.08 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 32.35 111.094 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m -120.3 -171.26 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.875 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -99.23 46.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 61.23 110.852 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -111.78 78.16 2.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 75.22 110.867 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 1.49 4.36 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 65.15 112.365 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.08 11.36 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.839 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.24 162.0 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 72.2 110.912 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.73 -10.92 29.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.44 112.383 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -27.32 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.855 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.76 -45.98 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.958 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.2 ptp180 -53.31 -34.11 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 73.33 110.828 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 98.9 t -77.42 -37.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.129 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -62.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.883 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -23.15 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.46 -49.9 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 16' ' ' ILE . 78.3 mt -65.51 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.931 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -65.21 -43.5 91.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 70.43 110.916 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.01 -46.16 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -56.82 -25.43 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 62.23 110.933 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 26.64 5.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 74.13 112.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -98.96 -176.25 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 72.03 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.46 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.849 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG12 ' HD3' ' A' ' 45' ' ' PRO . 23.4 t -113.51 124.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 62.43 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.97 78.0 12.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 61.12 111.088 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.635 ' HB3' HD23 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.76 124.12 10.77 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 70.2 112.362 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.8 t -123.16 122.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.128 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.39 151.94 44.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 72.23 110.858 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -9.8 26.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 74.12 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -106.41 -32.75 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.87 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.55 -8.24 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.05 111.138 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.63 101.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 45.12 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.62 18.81 14.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 71.41 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -135.03 177.65 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.15 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.79 110.96 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 61.51 111.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 113.02 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 30' ' ' TYR . 14.0 mt 58.77 21.93 9.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.931 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.08 -4.08 62.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 20.4 112.537 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -94.66 143.42 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 74.24 110.941 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.52 128.79 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 52.55 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.01 153.19 30.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -145.14 136.31 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 75.42 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.94 -33.51 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.058 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -149.09 154.31 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 43.12 111.154 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 1.032 HD13 HD13 ' A' ' 93' ' ' ILE . 4.4 pp -68.02 -15.32 63.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 63.45 110.951 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.78 7.5 30.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 60.32 111.094 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.27 -20.39 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.852 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 68' ' ' PRO . 61.5 t -66.16 133.09 94.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 73.13 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.76 -42.67 3.21 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.262 . . . . 72.11 112.38 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.31 148.83 24.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.89 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -91.91 128.82 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.787 HG21 ' HB2' ' A' ' 17' ' ' ALA . 9.8 p -74.13 144.34 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 71.44 111.11 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD1' HG23 ' A' ' 9' ' ' ILE . 34.0 t70 -92.19 -27.89 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.876 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.489 ' HE2' HG21 ' A' ' 97' ' ' THR . 40.5 ttm -150.99 125.13 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.1 110.853 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG22 HG11 ' A' ' 71' ' ' VAL . 43.2 t -104.84 123.4 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 61.01 111.147 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.93 142.9 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.98 118.02 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.12 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 18.6 m-85 -116.5 -18.11 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.924 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HD2' HG12 ' A' ' 19' ' ' VAL . 49.1 mtp180 -51.21 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.92 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -169.74 -177.14 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -68.43 -52.27 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 43.04 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.47 -32.58 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.871 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.07 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 71.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.68 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 65.3 111.076 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' TRP . . . . . 0.601 ' CE3' HD12 ' A' ' 112' ' ' LEU . 54.3 t-105 -66.98 -54.19 24.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.917 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.47 -34.69 49.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.42 112.505 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.0 -33.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 72.24 111.118 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.66 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 70.41 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -55.05 -44.12 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.5 mm-40 -59.55 -40.61 87.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.73 -44.21 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 42.43 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD12 HD22 ' A' ' 112' ' ' LEU . 38.8 mt -62.93 -26.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.1 -48.75 16.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 65.45 111.075 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 1.032 HD13 HD13 ' A' ' 64' ' ' LEU . 28.5 pt -71.02 -31.06 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.31 111.152 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 43.3 112.485 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.61 -177.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 64.22 111.053 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -133.24 -40.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 73' ' ' MET . 0.7 OUTLIER -134.06 158.52 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.3 111.125 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.1 117.32 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 70.23 110.917 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.4 t-105 -114.15 132.62 56.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.908 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 122' ' ' MET . 62.2 mt -106.72 -174.45 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 54.23 110.933 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.58 143.66 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 65.24 110.953 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.84 139.33 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.89 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.29 16.04 68.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 72.11 112.505 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.42 107.74 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 62.3 111.14 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.496 HG23 ' HG3' ' A' ' 122' ' ' MET . 54.4 mt -115.11 126.62 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.14 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 109' ' ' ALA . 5.9 m120 -111.94 96.63 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.42 110.899 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' VAL . 56.4 tt0 -51.96 -37.1 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -50.26 19.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 106' ' ' ASN . . . -55.72 -27.87 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.43 111.144 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -39.21 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -63.42 -46.65 94.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.077 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.728 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.64 -56.16 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -64.21 -32.19 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 65.42 111.056 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -66.34 -34.41 77.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.863 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -47.09 84.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . 0.548 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -79.9 -24.09 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 62.15 111.113 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.67 -2.17 42.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 70.54 112.466 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.687 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.4 tp -51.92 160.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 74.02 110.939 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.36 95.93 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.42 110.818 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.63 127.32 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.468 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -129.59 110.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 44.41 111.165 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.775 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -105.97 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.886 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 t70 51.78 38.57 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -152.64 140.61 20.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.897 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 149.95 74.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 43.45 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.1 22.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 74.1 112.314 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.84 70.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.81 -22.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.1 111.118 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -76.96 -27.68 54.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -65.86 -57.37 13.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 63.44 110.932 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.77 -6.75 19.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 70.11 112.363 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -51.96 -29.72 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 70.14 110.838 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.15 -27.24 19.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.92 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.69 33.36 6.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 40.22 112.502 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.81 -4.44 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 73.14 110.9 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.517 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.54 128.56 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 61.42 111.057 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.892 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 62.1 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -27.75 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.887 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -141.37 150.35 42.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 75.22 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -109.38 91.62 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 64.32 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 7' ' ' ALA . 34.6 p-10 -153.24 -173.77 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.852 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 pt -53.15 -27.45 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.13 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . . . -55.79 -36.49 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 111.065 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -34.98 43.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.474 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.4 HD12 ' O ' ' A' ' 5' ' ' ASP . 5.2 mp -75.67 -29.83 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 73.35 111.152 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.71 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.909 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.534 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.75 -21.38 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.173 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -84.05 -67.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.822 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.34 144.38 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.54 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 103.61 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.845 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.575 HG22 HG23 ' A' ' 71' ' ' VAL . 98.2 m -139.66 143.46 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 72.01 111.15 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.802 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -126.07 138.52 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.11 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.065 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.4 tp -121.61 135.45 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 62.04 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.73 117.15 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.092 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.41 70.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 54.12 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -107.87 99.72 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 54.11 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m -113.86 -172.11 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 54.3 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.15 41.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.843 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -113.82 87.79 13.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 60.24 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.08 20.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 50.3 112.357 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.06 9.05 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -112.48 154.95 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 74.25 110.858 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.72 -19.57 36.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 74.24 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -22.01 53.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.811 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -87.53 -48.97 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.898 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -32.2 49.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 77' ' ' PHE . 94.2 t -77.07 -36.19 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.154 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 56' ' ' LEU . 8.4 tpt -58.07 -58.58 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.909 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -67.54 -20.97 65.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.86 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.9 -49.13 21.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.97 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 16' ' ' ILE . 35.1 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 71.04 110.872 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.05 -44.2 73.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 55.13 110.947 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.66 -45.41 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.856 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CD ' HD21 ' A' ' 130' ' ' LEU . 64.6 mm-40 -56.49 -25.28 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.907 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.48 60.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 51.42 112.486 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.436 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.3 m-85 -141.79 159.51 42.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.378 . . . . 74.54 110.942 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.0 121.42 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.845 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' SD ' ' A' ' 33' ' ' MET . 16.9 t -118.19 147.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 61.24 111.13 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.66 79.23 59.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 53.44 111.141 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.29 40.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 61.43 112.34 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.42 122.26 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.32 111.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.37 152.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.749 . . . . 53.33 110.812 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -11.71 31.36 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.676 2.251 . . . . 73.44 112.392 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -106.32 -32.07 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.853 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.77 HG23 HD23 ' A' ' 55' ' ' LEU . 5.7 p -77.95 -5.26 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.56 96.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.32 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 9.41 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.473 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.68 154.3 43.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 62.51 110.862 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.13 110.79 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.13 111.177 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.25 112.37 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.911 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 33' ' ' MET . 35.6 mt 62.45 24.33 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.906 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.02 66.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 63.23 112.51 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -95.47 125.58 40.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 65.23 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -58.16 136.29 57.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.909 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.96 164.47 29.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 72.12 112.465 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -153.49 136.88 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 71.43 110.944 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.569 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -68.55 -35.75 77.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.22 111.094 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -150.01 149.39 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.138 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.26 -16.51 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 52.32 110.903 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.1 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.41 111.076 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.92 -37.62 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.895 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 41.3 t -50.64 108.63 1.07 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 65.22 111.135 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.7 -41.99 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 52.45 112.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.46 108.94 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -63.57 122.05 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 72.14 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.859 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.9 p -74.79 144.35 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.136 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.77 -25.36 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 70.24 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.522 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -141.45 113.88 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.729 HG22 HG11 ' A' ' 71' ' ' VAL . 59.9 t -95.66 109.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.137 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.521 ' OD1' HG23 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -88.05 133.44 33.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.848 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.7 113.01 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.03 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.688 ' CE2' HG11 ' A' ' 32' ' ' VAL . 49.2 m-85 -119.88 -9.22 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -51.61 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 62.13 110.827 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -165.49 173.98 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.89 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -63.08 -60.08 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.865 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.14 -28.23 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.88 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 45.22 111.11 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.78 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.057 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.59 -54.44 32.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.31 -43.79 97.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.455 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.6 -23.85 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 71.34 111.13 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.27 -57.98 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.25 111.1 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.503 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.3 pt20 -51.84 -39.53 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB3' HD11 ' A' ' 64' ' ' LEU . 7.1 mt-10 -67.5 -44.35 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.842 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.769 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.096 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.66 -29.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.1 -49.09 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.053 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 64' ' ' LEU . 39.8 pt -70.68 -24.95 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.11 54.53 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 74.33 112.493 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.932 ' HB3' HD11 ' A' ' 118' ' ' LEU . . . -63.41 -173.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 63.23 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -135.42 -41.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 158.35 43.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HB3' HG22 ' A' ' 120' ' ' VAL . 18.7 tp -144.83 102.44 3.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 54.44 110.93 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -94.96 143.04 26.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.914 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.812 HD12 ' HB3' ' A' ' 122' ' ' MET . 41.3 mt -119.63 -171.69 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.953 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.68 152.64 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.909 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -77.3 138.57 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.06 -15.42 62.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 64.02 112.468 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.59 151.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 42.05 111.156 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.27 134.79 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.162 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 3.3 m120 -129.05 87.42 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 55.34 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.6 tt0 -68.55 -47.42 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.43 110.873 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 -48.01 73.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.908 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -69.77 -27.95 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 52.44 111.091 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.28 -38.26 65.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.42 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.4 t -69.13 -50.03 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.12 111.097 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 88' ' ' GLN . 20.1 tp -51.27 -32.03 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 72.51 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.82 -50.09 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 35.52 111.146 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -53.04 -42.55 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -62.52 -25.21 67.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.54 -24.3 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.3 111.101 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.97 -15.72 10.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 61.42 112.487 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.932 HD11 ' HB3' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -58.2 157.99 7.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 63.35 110.899 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.5 t -113.11 94.8 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 98' ' ' LEU . 85.0 t -94.05 143.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 72.31 111.139 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.8 t -136.23 120.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.812 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.19 170.9 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.907 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.2 t70 63.67 33.56 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.2 mtm180 -156.14 135.08 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.91 129.13 15.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 74.11 110.873 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.76 -14.53 36.2 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 63.31 112.341 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.75 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.095 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.7 mt -99.46 -18.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.151 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 17.9 tt0 -69.91 -33.08 71.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.895 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.621 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.1 tp -68.17 -57.86 8.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 73.45 110.867 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.79 -7.71 21.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.629 2.219 . . . . 71.43 112.322 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -51.92 -30.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.06 -30.92 20.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 61.31 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.8 46.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 72.13 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.523 ' O ' HD12 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -86.06 -25.18 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.332 . . . . 73.54 110.855 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.621 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -56.25 152.95 10.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 52.5 111.118 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 45.9 mttm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.91 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 75.01 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -104.75 167.9 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 70.44 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.78 27.23 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.922 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -102.74 -26.23 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 55.22 110.869 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -100.34 166.5 10.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.842 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt -52.66 -27.55 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.144 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.98 -38.92 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.087 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.559 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.97 -32.93 47.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.54 112.452 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.4 mp -75.24 -31.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 64.22 111.146 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -85.31 -28.41 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 62.53 110.924 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.559 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.2 t -85.57 -21.99 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.44 111.131 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 t -84.36 -66.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 45.21 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -128.43 144.7 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -114.56 103.45 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.914 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 71' ' ' VAL . 86.5 m -139.96 143.65 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.631 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -130.69 133.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.085 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -122.94 123.55 41.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.42 111.098 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 21' ' ' ALA . 4.9 tp -96.01 126.76 41.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 63.24 110.87 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG11 HG13 ' A' ' 86' ' ' VAL . 64.8 t -100.83 114.98 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 70.14 111.127 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.54 62.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 62.42 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.822 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -90.22 122.98 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 54.22 111.07 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -134.38 -176.86 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.884 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.19 44.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.819 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.96 83.46 2.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.529 0.68 . . . . 75.13 110.833 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 64.12 112.289 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.21 26.43 6.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -130.94 159.27 72.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 73.12 110.87 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.82 -17.24 37.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 72.03 112.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -28.41 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 65.4 110.85 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -87.61 -44.02 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 73.04 110.899 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -31.72 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.753 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 96.8 t -77.25 -40.54 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 55.11 111.163 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.464 ' HE1' ' HG3' ' A' ' 58' ' ' GLN . 13.6 tpt -54.86 -61.28 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.98 -21.46 66.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.69 -46.74 44.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.877 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' HG21 ' A' ' 16' ' ' ILE . 63.6 mt -64.43 -43.72 93.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 62.02 110.9 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.73 -46.78 88.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.956 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.17 -54.38 36.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.872 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -56.66 -25.18 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 44.14 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.476 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -113.2 164.84 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 74.21 110.893 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.49 115.24 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 73.44 110.839 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.5 OUTLIER -109.8 144.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.15 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.72 81.44 69.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 72.32 111.128 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.87 13.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 71.31 112.322 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.07 121.81 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 62.21 111.169 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.437 ' CB ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -146.73 151.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 71.23 110.875 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.92 33.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 60.21 112.39 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -106.58 -31.41 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.45 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG12 ' CB ' ' A' ' 47' ' ' SER . 7.7 p -77.88 -8.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.21 111.107 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.85 102.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.15 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.31 17.97 18.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 42.13 112.542 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -126.24 172.29 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 73.14 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.9 113.93 15.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 54.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.57 117.78 31.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 43.23 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.8 mt 61.97 25.29 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.28 -0.91 84.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 62.04 112.461 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 9.0 mm100 -96.32 138.88 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.55 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.88 143.12 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.03 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.96 164.26 28.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.517 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.623 ' CG ' HG22 ' A' ' 67' ' ' VAL . 17.0 m-85 -152.54 131.86 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 71.34 110.923 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.04 -29.97 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 41.41 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.1 p -148.57 148.68 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 73.3 111.183 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.46 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.892 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.878 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -77.0 -2.7 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.115 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -6.75 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 54.5 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.623 HG22 ' CG ' ' A' ' 61' ' ' TYR . 23.5 t -87.44 131.87 42.72 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 71.4 111.142 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -43.16 2.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 72.24 112.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.28 147.69 40.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 61.24 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -98.25 122.1 41.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' ALA . 8.3 p -77.12 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.3 111.138 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.38 -23.86 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.869 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.423 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 ttp -146.39 119.74 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG22 HG11 ' A' ' 71' ' ' VAL . 77.7 t -103.57 138.22 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 61.03 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.482 ' OD1' HD12 ' A' ' 18' ' ' LEU . 2.3 p30 -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.821 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 100' ' ' LEU . 21.6 t -131.87 101.43 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.11 111.105 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.753 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 46.8 m-85 -114.97 -5.13 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -51.86 -68.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -163.82 167.95 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.5 p -62.4 -58.19 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.59 -25.33 68.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.864 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -64.45 -24.66 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 75.04 111.082 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.86 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.24 111.113 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -66.66 -54.48 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.05 110.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.51 -34.24 74.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.734 . . . . 65.14 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG13 HG11 ' A' ' 19' ' ' VAL . 90.4 t -83.09 -21.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 70.23 111.122 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.571 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -74.08 -44.67 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -60.91 -43.44 98.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 63.45 110.939 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' OE2' HG13 ' A' ' 86' ' ' VAL . 16.9 pt-20 -67.47 -40.91 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.8 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.31 111.126 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.46 ' CG1' HD22 ' A' ' 118' ' ' LEU . 25.0 mt -69.78 -35.67 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.03 111.108 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.39 -47.06 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.082 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.878 HG22 ' HB2' ' A' ' 65' ' ' ALA . 47.3 pt -70.63 -24.69 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 70.5 111.162 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.84 59.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.483 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.672 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -75.39 -177.85 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 52.05 111.088 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -130.95 -41.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.916 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.94 158.18 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 64.13 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 tp -141.19 109.26 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 32.14 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.58 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.3 t-105 -105.58 139.87 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.868 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 76' ' ' VAL . 57.0 mt -116.35 -173.78 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.01 110.89 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.661 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.1 mm-40 -82.97 163.94 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 51.43 110.921 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.904 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.66 19.1 28.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 75.01 112.54 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.93 147.94 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 64.42 111.104 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 38.9 mt -142.92 107.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.116 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.12 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.8 tt0 -53.23 -39.74 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.895 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.28 94.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.873 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.85 -34.41 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.111 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.503 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -67.91 -33.38 74.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 52.31 111.073 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.3 t -77.49 -40.89 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 87' ' ' ALA . 32.6 tp -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.24 110.928 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -75.89 -34.96 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 65.15 111.074 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.78 -41.04 83.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.898 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -54.1 -28.3 38.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.69 -24.23 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 61.02 111.066 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.58 -12.59 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 72.52 112.525 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.672 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.1 tp -51.55 145.64 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 74.25 110.894 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -87.26 99.54 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.5 p -91.66 132.96 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 71.24 111.102 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.58 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.4 t -134.43 111.33 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.158 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptp -110.09 176.61 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 t70 51.83 37.81 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -145.97 139.33 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.92 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.7 t -131.47 129.01 22.09 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 50.12 110.889 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.7 Cg_endo -69.76 -21.8 32.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.298 . . . . 73.01 112.304 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.91 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 51.53 111.111 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.69 -18.54 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 19.8 tt0 -73.11 -30.58 63.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -67.58 -57.65 9.83 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 62.44 110.876 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.76 -7.09 20.17 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 74.44 112.341 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -51.9 -29.75 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.87 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.1 mt -106.18 -30.69 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.74 23.05 6.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 73.3 112.535 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.78 -26.41 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 73.41 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.492 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.72 126.23 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.145 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.944 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.353 . . . . 74.03 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.97 120.07 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.4 110.93 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.615 ' HG2' HD22 ' A' ' 118' ' ' LEU . 21.4 mt-10 -111.2 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.91 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -65.58 -173.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 63.23 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASP . . . . . 0.601 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.7 m-20 63.48 58.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.883 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.463 HG23 ' OG ' ' A' ' 119' ' ' SER . 10.2 pt -51.28 -27.72 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.72 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.121 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.3 -32.28 48.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 50.41 112.501 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 5' ' ' ASP . 3.8 mp -75.52 -36.59 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 70.51 111.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.2 pp -78.74 -34.5 45.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 60.32 110.91 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -77.57 -27.65 51.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.158 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -79.26 -63.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.46 144.49 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 61.21 111.098 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -119.16 103.87 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.839 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.0 m -139.52 143.28 37.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.121 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.23 132.24 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.131 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -120.61 133.33 55.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.53 111.091 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.8 tp -104.73 135.29 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 53.31 110.922 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 t -106.98 137.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.44 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.22 56.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 70.14 112.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -73.3 110.82 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 63.13 111.083 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t -123.49 -169.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.88 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.82 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.909 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -109.7 84.03 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 72.25 110.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 73.43 112.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.53 20.85 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.92 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -120.42 159.37 48.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 71.32 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.9 Cg_endo -69.77 -21.17 33.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 74.43 112.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -26.78 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 62.21 110.879 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.8 -46.11 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 63.52 110.95 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 26.5 ptt180 -53.57 -35.86 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 65.32 110.884 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 77' ' ' PHE . 34.7 m -77.29 -30.03 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.14 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.462 ' HG3' HD22 ' A' ' 18' ' ' LEU . 7.0 ttm -61.4 -57.87 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.867 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -70.25 -23.26 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.662 ' OH ' HD23 ' A' ' 130' ' ' LEU . 8.2 t80 -74.37 -47.16 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.934 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.6 mt -68.34 -34.53 76.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' HG21 ' A' ' 43' ' ' VAL . 17.8 mt -67.35 -46.13 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.948 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -52.01 56.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' HG3' HD21 ' A' ' 130' ' ' LEU . 20.5 mm100 -56.52 -24.94 49.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.911 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.09 59.02 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 62.11 112.509 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -121.23 176.92 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 72.33 110.906 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -100.33 107.25 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.79 HG12 ' HD3' ' A' ' 45' ' ' PRO . 46.7 t -106.38 134.17 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.3 mt -128.87 76.54 78.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.606 0.717 . . . . 65.41 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.79 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.76 130.67 19.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 63.1 112.341 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.71 122.04 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 45.31 111.174 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.47 152.4 45.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.701 0.763 . . . . 71.13 110.858 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.66 29.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 42.01 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -105.07 -33.83 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.44 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.51 -10.18 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 64.01 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.584 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.26 102.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 53.32 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.9 16.46 19.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 64.34 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -134.56 171.3 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 74.34 110.864 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.71 112.82 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.01 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.43 115.53 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.1 mt 57.23 26.0 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 65.14 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.81 7.58 68.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 65.41 112.504 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -105.63 133.33 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -61.74 142.12 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 30.43 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.49 155.93 21.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 74.14 112.504 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -149.48 134.19 17.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 65.31 110.873 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.9 -30.36 69.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 43.13 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 t -162.91 152.45 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.176 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.903 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -62.21 -17.54 58.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 54.14 110.922 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.85 -15.98 63.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 60.11 111.113 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -37.89 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 108.35 0.99 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 72.51 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.77 4.89 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.699 2.266 . . . . 65.31 112.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.69 131.09 41.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 127.6 33.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.938 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.5 p -82.31 144.3 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 70.24 111.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' OD2' HG22 ' A' ' 9' ' ' ILE . 4.5 t70 -80.03 -43.7 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.872 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.8 ttp -146.4 129.4 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.834 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG22 HG11 ' A' ' 71' ' ' VAL . 81.1 t -97.96 108.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.05 111.143 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -80.8 126.24 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.1 t -111.32 117.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.112 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.746 ' CE1' HG11 ' A' ' 32' ' ' VAL . 98.2 m-85 -116.9 -15.09 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.86 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -51.56 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -176.04 -179.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.902 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t -72.73 -45.88 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.815 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.99 -38.5 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -75.66 -24.92 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.085 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 80' ' ' SER . . . -54.44 -43.33 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.092 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -64.01 -53.69 46.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 74.1 110.882 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.06 -43.17 97.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.53 112.447 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 82' ' ' ALA . 48.9 t -72.09 -26.07 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.42 111.115 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.24 -55.48 13.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.114 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.628 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -56.23 -43.38 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.943 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.51 -45.33 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.73 -50.08 70.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.111 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.31 -36.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.47 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.033 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.903 HD13 HD12 ' A' ' 64' ' ' LEU . 46.9 pt -71.02 -24.47 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.086 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.0 56.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 73.35 112.462 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -65.61 175.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 72.53 111.077 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -116.68 -28.47 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -161.12 158.08 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.03 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 120' ' ' VAL . 5.0 tp -138.65 134.06 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 64.2 110.96 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -131.08 138.61 49.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.692 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.2 mt -115.74 -167.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.922 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.703 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.5 tp-100 -85.33 155.46 21.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.55 110.965 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.8 tp -79.36 131.79 36.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 73.2 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.13 55.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 74.42 112.471 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.9 p -91.74 148.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 73.4 111.166 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.81 103.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 55.04 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -116.42 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.713 ' O ' HG23 ' A' ' 111' ' ' VAL . 35.0 tp10 -51.94 -35.9 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.922 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -47.46 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.948 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.1 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.488 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -71.25 -32.09 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 62.52 111.1 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 107' ' ' GLU . 20.9 t -78.54 -39.4 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.24 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' A' ' 88' ' ' GLN . 33.3 tp -55.99 -45.6 78.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.4 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 61.33 111.106 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -69.17 -26.73 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -61.04 -35.16 76.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 62.2 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.5 -23.87 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 55.55 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.65 -5.84 27.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 32.52 112.509 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.615 HD22 ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -51.86 156.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 64.43 110.896 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.463 ' OG ' HG23 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.56 94.7 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.869 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.587 HG23 HD23 ' A' ' 98' ' ' LEU . 14.9 p -100.55 132.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.54 111.152 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.88 105.86 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.12 111.107 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.692 ' CB ' HD12 ' A' ' 100' ' ' LEU . 1.6 ptt? -104.15 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.854 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 51.73 34.4 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.907 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.2 mmm180 -150.44 135.89 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 102' ' ' LEU . 23.7 t -127.34 129.71 23.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.619 0.723 . . . . 65.13 110.862 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 129' ' ' GLU . 53.6 Cg_endo -69.77 -21.42 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 73.33 112.363 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.36 74.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.141 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.07 -24.42 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 64.5 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 126' ' ' PRO . 4.2 mm-40 -70.37 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.45 110.861 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.662 HD23 ' OH ' ' A' ' 35' ' ' TYR . 2.4 tp -54.69 -57.51 18.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.631 0.729 . . . . 61.44 110.936 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.77 -4.26 13.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 54.51 112.341 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -34.18 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.89 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.3 -30.83 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 63.1 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -98.54 -23.74 11.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 72.31 112.474 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.0 28.43 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 73.33 110.886 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.508 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.49 164.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 24.24 111.094 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 73.3 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -105.25 147.9 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 62.34 110.889 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -127.04 163.84 22.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -123.48 39.37 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.23 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -143.27 -176.18 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.859 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt -52.54 -27.61 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 63.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.82 -39.81 68.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.23 111.128 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.31 -32.17 52.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 55.14 112.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.27 -29.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 73.11 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.19 -28.05 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.53 110.91 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -87.44 -20.37 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.5 111.139 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -87.15 -67.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 64.05 110.857 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 128.38 44.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 61.21 111.144 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -103.7 104.25 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -139.17 130.02 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 64.02 111.141 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 1.093 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -112.33 128.28 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 52.41 111.107 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . . . -106.65 151.52 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 62.41 111.105 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 45' ' ' PRO . 2.1 tp -131.71 127.34 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.674 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.9 t -104.79 126.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.45 111.153 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 63.9 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 73.14 112.538 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.73 107.24 18.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 71.42 111.082 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -123.46 -175.32 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 70.24 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -99.51 47.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.872 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -110.61 84.47 4.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 73.44 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 72.24 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.48 24.78 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.896 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -132.69 159.18 73.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 71.32 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.74 -16.42 37.64 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 73.13 112.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -29.08 55.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 54.33 110.834 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -87.8 -44.32 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.885 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 7.0 ptm180 -53.79 -32.5 52.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 63.11 110.869 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 28' ' ' PRO . 89.5 t -77.21 -40.18 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.23 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.3 ttm -55.3 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.856 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -64.94 -22.35 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.11 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.94 -51.49 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 1.093 HD13 HG21 ' A' ' 16' ' ' ILE . 42.5 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.01 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HG ' HG21 ' A' ' 43' ' ' VAL . 16.2 mt -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.926 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -76.76 -42.37 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.12 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.75 -24.88 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 60.15 110.942 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.37 44.54 1.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 51.42 112.497 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.1 m-85 -119.82 167.36 12.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 74.24 110.919 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.02 117.67 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 64.43 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.759 HG12 ' HD3' ' A' ' 45' ' ' PRO . 87.4 t -110.66 132.52 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.11 111.101 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.3 79.57 70.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 70.52 111.098 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.759 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 134.75 28.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 74.23 112.31 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.56 121.97 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 72.11 111.181 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 152.09 43.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 74.34 110.899 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.42 36.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 75.54 112.364 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -106.49 -29.92 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.53 -6.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.123 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.86 7.68 21.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.481 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -139.82 163.34 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.22 110.9 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.42 122.53 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.169 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 2.9 mt -109.63 122.5 47.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.94 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.644 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.5 mt 58.72 21.78 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.946 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.14 69.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 64.25 112.466 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.72 137.53 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 55.03 110.909 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -72.19 132.39 44.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.869 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.21 159.95 36.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.464 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -148.79 135.39 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 73.13 110.913 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.568 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.16 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 71.3 111.066 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 t -166.86 156.71 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.159 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -24.39 67.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 54.31 110.917 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.5 2.71 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.14 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -101.44 -21.1 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.869 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.5 p -99.06 133.16 22.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 40.33 111.136 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.6 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 74.13 112.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.65 151.21 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -101.93 144.95 29.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.873 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 17' ' ' ALA . 88.7 t -98.86 143.84 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 44.42 111.17 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -108.02 -39.56 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 ttp -132.06 112.02 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 61.02 110.884 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.579 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 46.3 t -89.05 108.64 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 64.52 111.094 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -89.65 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.794 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 HG11 ' A' ' 86' ' ' VAL . 15.3 t -104.52 107.45 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.34 111.131 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -125.3 -2.31 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.899 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -48.17 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 73.41 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -150.93 175.21 12.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -73.94 -60.03 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 52.35 110.904 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -60.32 -25.52 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 55.44 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.28 -28.12 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.47 -30.23 19.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.106 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -71.32 -53.32 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.11 110.934 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.18 -29.9 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 62.34 112.549 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 19' ' ' VAL . 21.2 t -82.82 -37.28 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 74.53 111.121 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.6 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.066 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.78 -42.88 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.43 -44.48 87.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.865 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -37.65 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 61.02 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 118' ' ' LEU . 9.9 mt -75.29 -25.42 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 111.098 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.66 -51.59 48.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.067 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.76 -31.19 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.05 111.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.41 52.9 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 72.32 112.463 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.31 171.23 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.31 111.128 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -117.49 -28.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 72.12 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.93 158.78 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 45.42 111.175 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 74' ' ' VAL . 15.6 tp -137.72 102.25 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.912 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.552 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.3 t-105 -99.64 133.76 43.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.909 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.811 HD12 ' HB3' ' A' ' 122' ' ' MET . 53.9 mt -108.22 -174.14 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -84.66 144.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.943 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 125' ' ' CYS . 4.5 tp -55.49 141.14 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.927 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.2 16.03 68.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 71.42 112.44 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.83 122.5 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 64.24 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 122' ' ' MET . 46.9 mt -125.07 132.84 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.081 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.93 106.06 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 54.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.75 -37.61 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.941 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -49.11 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.01 -24.19 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.11 111.071 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -65.31 -51.28 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.42 111.117 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -73.51 -33.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.54 -28.95 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.57 -39.72 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 30.43 111.129 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.2 -39.3 59.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.79 -30.65 45.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -24.36 14.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 43.23 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.75 31.32 5.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 75.24 112.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -87.42 151.21 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 64.15 110.913 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 m -87.96 100.64 13.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 99.8 t -91.29 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.17 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.552 HG11 ' CH2' ' A' ' 99' ' ' TRP . 44.0 t -140.67 116.42 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 71.44 111.141 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.811 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.97 173.19 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.884 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.17 31.16 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.429 ' CA ' HD12 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -149.59 139.12 21.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 70.42 110.848 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 125' ' ' CYS . . . . . 0.782 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -133.43 149.2 71.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.708 . . . . 62.35 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -29.83 22.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 55.15 112.341 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.43 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.33 111.075 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 mm -98.87 -22.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 63.54 111.097 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.17 -27.53 56.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.886 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -66.65 -57.47 11.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.709 . . . . 63.53 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.74 -6.5 18.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.686 2.257 . . . . 61.23 112.378 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -51.78 -29.7 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -95.67 -30.46 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 65.05 110.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.66 39.68 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 63.3 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.438 HD13 HD12 ' A' ' 133' ' ' LEU . 8.1 mp -116.23 -20.72 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 71.21 110.919 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.547 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.36 153.52 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 42.54 111.097 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 63.12 110.873 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 72.11 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.06 146.47 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.14 110.948 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -138.2 -41.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 71.33 110.884 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.89 163.74 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.902 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.92 -23.49 12.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 61.14 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 pt -52.74 -27.66 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.54 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.445 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -37.06 65.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.09 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.69 -34.13 44.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.455 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.0 mp -75.48 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.857 0.36 . . . . 74.25 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.31 -27.12 26.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.911 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.56 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.8 t -87.86 -20.9 25.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -85.92 -67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 51.55 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.89 135.35 49.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -110.42 103.92 12.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.885 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 71' ' ' VAL . 90.8 m -139.41 143.62 37.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 65.3 111.139 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -128.15 137.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.097 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -125.25 140.43 52.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.102 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 21' ' ' ALA . 3.2 tt -116.16 134.8 54.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 t -106.78 124.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.12 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 51.2 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.803 -0.713 . . . . 54.32 112.497 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.22 112.08 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.22 111.122 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -128.12 -169.19 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -92.91 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.845 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -108.71 87.67 4.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.568 0.699 . . . . 73.04 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.48 21.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 74.05 112.323 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -99.42 17.51 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 53.45 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.79 156.44 44.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 70.42 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.5 Cg_endo -69.79 -23.17 30.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 71.13 112.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -19.07 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 45.11 110.88 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.3 -46.58 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.919 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 5.0 ptp180 -53.55 -39.43 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 34.1 t -77.24 -31.19 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' HG11 ' A' ' 43' ' ' VAL . 14.6 tpt -59.0 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.87 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.49 -20.64 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.71 ' OH ' HD23 ' A' ' 130' ' ' LEU . 6.9 t80 -75.07 -47.77 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.925 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 16' ' ' ILE . 53.1 mt -64.21 -40.87 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 71.21 110.911 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 43' ' ' VAL . 50.9 mt -66.62 -41.82 87.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.918 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -51.15 63.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 76.3 mm-40 -56.74 -25.1 53.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 51.59 1.37 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 71.42 112.535 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -117.08 172.89 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.23 110.903 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.04 109.05 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 65.51 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.49 HG11 ' SD ' ' A' ' 33' ' ' MET . 19.6 t -109.41 144.58 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.154 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -134.25 78.13 58.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 75.44 111.126 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.76 134.26 27.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.612 2.208 . . . . 62.42 112.369 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.1 122.27 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 65.21 111.168 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 75.41 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -13.94 35.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.65 2.234 . . . . 74.34 112.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -106.03 -30.65 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.15 -3.77 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 70.43 111.145 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -64.93 95.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.24 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.24 11.38 7.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 70.41 112.499 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -142.95 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 74.1 110.888 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.17 113.53 26.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 63.45 111.144 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.76 116.62 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.22 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 33' ' ' MET . 17.7 mt 58.27 22.76 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.83 -9.8 66.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.489 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 8.6 mm100 -94.72 131.42 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 75.54 110.87 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.21 135.49 57.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 62.42 110.939 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.86 166.78 31.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 72.14 112.49 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -154.24 137.2 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 73.11 110.929 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.571 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -64.6 -24.44 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 42.1 111.117 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -166.75 153.43 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 93' ' ' ILE . 3.9 pp -61.95 -17.87 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 53.1 110.96 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.46 4.03 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 60.44 111.09 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.19 -23.2 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -94.07 133.05 28.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 54.02 111.164 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.74 -42.21 3.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 75.23 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -59.65 151.12 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.919 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -111.73 133.56 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -84.27 144.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 53.33 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.55 -24.32 19.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.859 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.568 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -144.22 117.26 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 62.04 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 71' ' ' VAL . 58.3 t -94.92 111.0 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.149 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -90.81 114.35 26.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.62 114.92 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.14 111.107 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 25.6 m-85 -119.31 -9.94 9.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.4 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -51.48 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 73.34 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -168.98 -175.78 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 71.04 110.909 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -74.95 -53.15 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -53.53 -36.01 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.8 -28.54 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 25.31 111.061 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.09 63.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 54.14 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -66.57 -54.35 24.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.946 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.18 -40.33 93.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.442 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 82' ' ' ALA . 90.8 t -74.34 -33.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 63.34 111.163 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ALA . . . . . 0.461 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -60.89 -57.41 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.52 111.085 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -52.02 -44.79 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.916 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.51 -43.97 97.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 53.31 111.098 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -75.0 -23.15 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.197 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.39 -51.44 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 63.43 111.096 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 64' ' ' LEU . 2.4 pp -71.66 -27.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.131 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.15 51.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 75.1 112.518 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 71.12 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -127.41 -38.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 9' ' ' ILE . 1.5 m -148.04 158.37 44.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.113 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 HG23 ' A' ' 120' ' ' VAL . 8.1 tp -136.64 130.98 33.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.94 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TRP . . . . . 0.622 ' CH2' HG11 ' A' ' 121' ' ' VAL . 6.4 t-105 -128.74 133.87 48.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.905 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 122' ' ' MET . 22.1 mt -111.15 -168.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 75.24 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLN . . . . . 0.706 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.5 mm-40 -86.6 158.04 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.899 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.34 131.74 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.852 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.45 -13.14 56.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 42.22 112.471 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.2 p -93.82 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.14 111.134 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.0 mt -142.96 111.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -125.62 87.76 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.894 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.91 -28.4 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 62.32 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.1 -50.14 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.939 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.7 -23.58 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.101 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.73 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.65 -52.17 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.04 111.131 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.77 -32.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 87' ' ' ALA . 25.0 tp -52.68 -28.76 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.3 110.891 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.42 -32.52 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.112 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -61.43 -39.67 91.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 62.42 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.84 -31.49 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.49 -24.12 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 61.42 111.084 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.51 -12.07 39.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 62.4 112.46 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LEU . . . . . 0.467 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 3.0 tp -51.77 148.8 5.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 72.43 110.912 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 m -86.39 98.73 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.51 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' VAL . . . . . 0.73 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -91.95 125.57 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.622 HG11 ' CH2' ' A' ' 99' ' ' TRP . 42.9 t -128.96 109.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 73.43 111.117 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' MET . . . . . 0.622 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -115.22 179.6 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 60.35 110.841 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 t0 51.86 38.08 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.53 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.6 mtt-85 -151.97 136.27 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.6 t -108.75 129.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 71.05 110.889 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.93 35.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 64.25 112.333 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.36 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.8 mm -98.52 -23.6 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.194 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -79.53 -42.72 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 54.41 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LEU . . . . . 0.71 HD23 ' OH ' ' A' ' 35' ' ' TYR . 2.4 tp -51.06 -57.09 15.0 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.647 0.737 . . . . 74.23 110.919 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.76 -4.96 15.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 70.22 112.317 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -78.82 -36.42 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 52.22 110.813 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 -30.9 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.31 -23.61 18.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 45.04 112.477 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tp 64.41 26.52 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 74.32 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.67 141.61 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.097 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.9 179.995 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 pt . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.814 0.34 . . . . 51.4 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.11 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 61.21 111.072 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.13 -31.59 51.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 44.52 112.477 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.28 -37.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 73.55 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -78.75 -35.25 44.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.925 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.52 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -76.18 -27.74 57.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 t -82.25 -63.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.81 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -128.34 124.26 36.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.13 111.117 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -107.24 104.31 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -139.26 118.4 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.144 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.881 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -108.45 126.14 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 53.13 111.177 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.04 127.97 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 31.33 111.093 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.4 135.47 39.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.592 HG21 HG11 ' A' ' 86' ' ' VAL . 24.9 t -105.53 126.45 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.06 43.76 38.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 60.04 112.47 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.11 95.94 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 60.31 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -106.33 -169.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.846 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.85 44.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.11 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -109.8 83.47 2.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 72.2 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.89 17.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 74.22 112.316 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -98.05 22.81 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.876 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -128.09 159.84 64.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 74.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.78 -19.4 36.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 50.54 112.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 m -74.37 -23.84 59.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.53 110.821 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -88.6 -48.91 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.905 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -33.95 60.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.02 110.856 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.755 HG21 ' CD2' ' A' ' 77' ' ' PHE . 27.5 m -77.24 -31.08 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.02 111.089 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.4 ttm -65.45 -66.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.846 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -24.01 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.922 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.52 -46.17 70.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.904 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.881 HD13 HG21 ' A' ' 16' ' ' ILE . 63.0 mt -70.77 -29.31 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.928 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 43' ' ' VAL . 11.0 mt -69.12 -46.76 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.56 -40.16 88.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 62.35 110.893 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -56.49 -25.35 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.99 39.7 3.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 51.43 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 68.9 m-85 -118.38 153.99 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 60.13 110.9 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -73.08 104.96 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.804 HG12 ' HD3' ' A' ' 45' ' ' PRO . 50.2 t -101.67 129.88 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 70.53 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -127.49 77.35 76.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 74.54 111.091 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.804 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.83 126.5 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.726 2.284 . . . . 64.15 112.346 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.87 122.1 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 52.23 111.114 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.42 46.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 65.14 110.916 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 43.12 112.359 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -103.77 -32.46 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 1.96 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.53 111.119 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.586 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -57.17 99.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 71.21 111.082 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.84 18.89 33.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.677 -0.773 . . . . 70.03 112.522 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -127.18 177.56 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 70.31 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.74 121.02 41.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.83 105.78 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt 60.1 26.01 15.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.77 -10.04 68.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.69 -0.766 . . . . 72.52 112.493 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -94.74 131.48 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 72.53 110.923 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -60.31 136.0 57.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.96 158.71 23.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 52.44 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.2 141.79 26.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 70.14 110.937 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.52 -32.3 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 62.03 111.072 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.0 p -149.02 154.35 39.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.54 111.114 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HD13 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -64.78 -15.37 61.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.885 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 11.01 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.33 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -110.94 -21.17 12.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.87 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -81.64 133.09 53.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 62.51 111.153 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.81 -42.17 3.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 71.11 112.338 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.1 135.41 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 44.02 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -80.67 123.86 28.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 61.5 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.05 140.48 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.24 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.41 -26.38 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.864 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ttp -144.87 113.98 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.872 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' A' ' 98' ' ' LEU . 65.2 t -90.39 113.92 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.112 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.65 104.2 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.913 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.543 HG22 HG11 ' A' ' 86' ' ' VAL . 21.7 t -104.17 105.13 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 72.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' A' ' 32' ' ' VAL . 26.1 m-85 -122.22 -5.17 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.901 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HD3' HG12 ' A' ' 19' ' ' VAL . 48.6 mtm180 -52.02 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.15 110.861 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -149.48 -178.24 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 62.4 110.86 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.9 p -74.11 -59.63 2.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 54.55 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.66 -26.29 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 43.04 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -55.75 -30.46 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' A' ' 100' ' ' LEU . . . -58.55 -35.83 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.126 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -67.15 -54.43 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.96 -42.28 98.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.435 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 19' ' ' VAL . 48.1 t -71.6 -25.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 50.52 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.567 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -70.39 -55.89 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -54.1 -44.16 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.07 -45.87 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -50.38 73.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.094 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.95 -26.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.04 -50.68 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 71.11 111.128 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.832 HD13 HD12 ' A' ' 64' ' ' LEU . 44.2 pt -71.66 -25.18 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.105 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.96 54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.473 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.652 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -68.91 -178.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 62.05 111.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -133.6 -40.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -134.01 158.23 44.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.125 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.592 HD23 HG23 ' A' ' 120' ' ' VAL . 9.6 tp -142.7 122.43 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 121' ' ' VAL . 2.9 t-105 -118.79 127.54 53.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.892 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 122' ' ' MET . 12.5 mt -104.86 -169.97 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.09 142.49 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -76.78 133.39 39.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 42.41 110.913 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -12.72 56.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 73.03 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.95 151.94 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 74.11 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.59 117.52 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.133 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -125.81 98.58 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.87 -29.59 69.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.889 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -49.22 70.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.896 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.35 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 44.02 111.048 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -66.1 -51.11 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.074 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.45 -32.39 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 70.34 111.104 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 87' ' ' ALA . 23.7 tp -52.91 -28.48 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 53.35 110.908 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -39.31 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 51.41 111.13 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -54.94 -36.31 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.836 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -52.88 -29.21 26.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.76 -23.52 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.41 37.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.476 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.6 tp -51.92 148.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 74.12 110.949 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 98.45 10.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.918 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 110' ' ' ALA . 10.0 p -91.64 131.19 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.43 111.109 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.433 HG21 ' CZ3' ' A' ' 99' ' ' TRP . 22.0 t -132.33 105.95 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 61.53 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.642 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -104.42 168.18 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.89 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.81 40.1 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.848 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 102' ' ' LEU . 15.7 mtt180 -151.07 136.75 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.4 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.58 149.7 68.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 64.15 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -29.66 23.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 61.44 112.363 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.28 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.098 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 102' ' ' LEU . 62.9 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.158 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 9' ' ' ILE . 16.1 pt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.863 0.363 . . . . 62.03 111.166 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -35.64 63.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 65.15 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.07 -31.69 51.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 55.15 112.481 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.2 mp -76.18 -36.53 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 64.25 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.9 -31.33 45.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.935 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.528 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -81.52 -25.75 35.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 63.23 111.107 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 t -81.54 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.89 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.47 135.42 49.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.24 111.185 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -110.53 103.5 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 63.54 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 71' ' ' VAL . 85.8 m -139.83 143.54 36.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 51.43 111.148 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.866 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -128.43 136.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.13 111.142 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.65 135.57 53.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 61.34 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 29' ' ' SER . 5.7 tt -108.79 135.37 50.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG22 ' HD2' ' A' ' 78' ' ' ARG . 10.4 p -99.33 135.8 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.105 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.88 60.85 6.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.521 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -93.68 90.13 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 72.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -106.92 -168.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 52.14 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.66 43.27 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 53.43 110.865 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -109.68 83.94 2.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.582 0.706 . . . . 64.14 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 70.41 112.315 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -98.15 23.88 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -128.61 160.49 62.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 71.24 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.75 -14.42 36.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 71.24 112.344 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . 3.2 p -77.41 -27.7 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.835 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.63 -45.53 10.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.25 -32.82 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.804 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 91.3 t -77.09 -38.8 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 52.13 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.3 ttm -54.77 -57.17 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -66.76 -22.04 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 63.01 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -73.07 -51.36 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.913 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 16' ' ' ILE . 80.5 mt -73.28 -25.44 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.936 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.601 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.9 mt -76.66 -44.16 35.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.55 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.83 -40.44 79.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.75 -25.35 54.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.08 38.33 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 25.31 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -116.33 164.83 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 65.41 110.933 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -82.82 117.3 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 70.31 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HD3' ' A' ' 45' ' ' PRO . 27.3 t -113.67 140.06 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.83 76.86 76.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.621 0.724 . . . . 75.55 111.111 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.61 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.78 126.99 13.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 74.21 112.312 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.01 122.54 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.108 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.31 152.44 46.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 75.1 110.883 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 73.41 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -106.25 -33.65 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.615 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.46 -6.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.124 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.7 103.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.15 111.138 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.48 19.75 21.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 74.11 112.493 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 177.46 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.34 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.4 114.45 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.15 111.143 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -110.57 117.61 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 62.22 110.944 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt 62.78 25.64 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.52 -2.56 86.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 73.24 112.484 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -94.82 143.86 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 74.32 110.942 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -72.02 139.53 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.942 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.615 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.03 153.44 20.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.717 . . . . 71.24 112.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -147.01 137.99 23.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 73.32 110.939 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.603 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.11 -25.4 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -169.56 161.86 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.14 111.166 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.804 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.21 -15.68 60.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 72.52 110.882 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 11.98 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.118 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -113.14 -21.07 11.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.845 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -88.26 133.08 37.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 65.13 111.142 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.69 -42.29 3.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 74.34 112.37 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.88 140.06 53.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -95.72 126.11 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.88 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 74' ' ' VAL . 7.5 p -74.55 144.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 43.13 111.097 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.69 -21.38 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.03 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.605 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -145.48 114.73 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 55.22 110.888 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.734 HG22 HG11 ' A' ' 71' ' ' VAL . 50.8 t -97.47 112.89 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.25 111.153 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.7 m-20 -99.11 115.43 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.887 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG13 HG11 ' A' ' 19' ' ' VAL . 93.7 t -97.82 117.31 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.804 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 76.8 m-85 -119.23 -11.14 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HD2' HG22 ' A' ' 19' ' ' VAL . 15.8 mtt180 -51.35 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.31 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -176.23 177.46 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.9 p -70.74 -53.64 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 72.13 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -55.16 -29.65 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.881 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -74.13 -26.4 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.114 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.75 -44.42 63.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -65.41 -52.83 50.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.54 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.47 60.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 60.04 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 82' ' ' ALA . 97.7 t -78.28 -39.65 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 74.44 111.143 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.565 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -53.89 -54.27 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 70.24 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -55.01 -41.04 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 61.34 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' LEU . 11.9 mt-10 -66.3 -45.74 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.89 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.42 -48.58 81.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.03 111.119 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.95 -30.98 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.162 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.81 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 71.02 111.106 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HD12 ' A' ' 64' ' ' LEU . 45.7 pt -74.09 -25.33 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.11 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.98 52.13 0.91 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.492 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -57.9 -179.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 73.12 111.091 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -123.16 -37.34 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.915 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 119' ' ' SER . 1.3 m -148.14 158.57 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.45 111.115 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -136.21 132.27 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.95 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.551 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -131.38 128.62 39.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.945 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 122' ' ' MET . 31.6 mt -107.54 -170.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -81.83 145.35 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 43.32 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -75.31 128.53 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.878 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.58 -16.08 34.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 74.52 112.496 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.89 150.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 71.23 111.119 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.9 mt -134.6 115.83 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.143 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.75 87.4 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.04 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.651 ' O ' HG23 ' A' ' 111' ' ' VAL . 43.9 tt0 -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.33 110.89 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.24 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 44.34 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.412 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -74.87 -32.24 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.088 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -76.68 -41.15 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 50.01 111.169 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 87' ' ' ALA . 19.2 tp -53.61 -60.34 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.928 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.85 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.083 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -63.21 -34.46 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.41 -41.62 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 52.43 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.06 -24.19 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.1 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.05 -6.1 50.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 72.55 112.488 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 95' ' ' ALA . 3.3 tp -51.63 156.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 73.23 110.905 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.477 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -85.94 95.78 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.88 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -91.58 123.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 50.31 111.112 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.551 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -133.54 105.77 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.689 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -109.51 179.98 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.88 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 51.91 36.54 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.504 ' HA ' HD12 ' A' ' 102' ' ' LEU . 39.0 mmt180 -151.1 136.38 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.897 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.3 130.68 19.27 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.645 0.736 . . . . 61.3 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.58 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 60.25 112.312 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.38 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 73.04 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.3 mm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 70.35 111.15 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.826 0.346 . . . . 74.24 111.148 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.86 -39.78 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 53.12 111.126 179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.85 -32.05 51.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.5 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 9' ' ' ILE . 4.0 mp -75.51 -31.57 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 74.42 111.15 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -84.71 -29.62 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.11 110.924 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.1 t -82.81 -24.34 33.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.168 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -81.68 -65.39 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 62.12 110.852 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.1 m -128.49 144.53 51.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 63.33 111.129 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -116.42 102.76 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.8 m -140.6 143.53 35.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.14 111.124 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 36' ' ' LEU . 4.8 mp -133.17 120.47 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.14 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -113.82 122.24 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.03 111.1 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.21 127.55 36.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.958 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' N ' HD13 ' A' ' 18' ' ' LEU . 69.4 t -98.07 115.5 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.24 111.136 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.44 59.72 1.71 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 44.43 112.503 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 94.12 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 72.43 111.144 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -102.69 -169.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -94.8 44.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 64.32 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -109.95 83.46 2.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 71.33 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.34 18.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 74.4 112.334 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.82 23.11 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -126.04 161.04 53.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.582 0.706 . . . . 61.33 110.86 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.81 36.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 75.04 112.363 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -77.19 -27.49 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.74 -46.12 9.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.938 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -33.34 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 75.44 110.869 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.0 p -77.0 -36.13 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.123 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -62.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -63.24 -22.09 66.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.898 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -70.91 -47.12 60.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 53.21 110.954 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 16' ' ' ILE . 95.1 mt -68.4 -34.92 76.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.9 mt -67.55 -46.76 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.903 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.82 -55.67 24.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.86 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.82 -25.45 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 65.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.72 60.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 72.14 112.534 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 58.3 m-85 -127.85 155.35 44.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 65.01 110.923 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.874 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.605 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.6 t -106.87 134.65 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.144 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.37 77.91 76.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 71.12 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.74 128.9 16.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 61.15 112.341 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.18 121.95 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 61.03 111.112 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.78 152.53 44.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 62.24 110.88 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.45 28.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 55.11 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -106.26 -33.46 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.869 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 55' ' ' LEU . 9.1 p -77.57 -9.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 71.4 111.152 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.31 102.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 64.13 111.115 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.36 17.38 20.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 44.1 112.497 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -133.85 177.72 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 65.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 108.24 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 64.33 111.095 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 50' ' ' VAL . 4.6 mt -98.1 111.15 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt 62.14 25.22 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.901 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.33 77.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.44 112.494 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -94.94 141.39 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -66.02 143.76 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.882 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.91 156.38 20.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.488 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -149.98 133.72 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.41 110.91 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.063 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -145.47 148.31 33.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.55 111.193 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.67 -19.49 65.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.931 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 93' ' ' ILE . . . -71.05 -12.75 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 44.41 111.113 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -89.14 -31.49 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 50.21 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.36 108.52 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 62.12 111.099 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -43.35 2.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 73.23 112.359 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.24 110.6 5.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -52.03 118.91 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 51.34 110.905 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 74' ' ' VAL . 5.1 p -74.09 148.1 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.112 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.61 -32.12 11.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.49 125.9 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.844 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.598 ' CG2' HG11 ' A' ' 71' ' ' VAL . 21.8 t -113.53 131.47 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.34 151.24 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.844 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.18 119.43 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 91.8 m-85 -118.8 -10.34 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -51.61 -72.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -157.34 170.64 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -72.56 -57.47 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.75 -27.46 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 71.35 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -67.38 -23.6 65.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 41.14 111.087 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 70.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.3 t-105 -67.67 -54.4 19.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.926 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.24 -37.9 75.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.75 . . . . 65.35 112.528 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' ALA . 40.2 t -79.0 -30.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 71.44 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.5 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.84 -42.65 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.938 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.24 -38.31 87.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.13 111.093 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.795 HD12 HD22 ' A' ' 112' ' ' LEU . 51.9 mt -70.23 -29.69 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.64 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.54 111.072 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.567 ' CD1' HD12 ' A' ' 64' ' ' LEU . 26.2 pt -76.32 -30.51 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.069 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.73 80.7 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 31.43 112.482 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -86.89 -169.63 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 60.21 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.42 -43.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.914 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.69 158.23 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 62.22 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.4 tp -138.72 105.85 5.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.453 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -103.63 137.94 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.923 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.715 HD12 ' HB3' ' A' ' 122' ' ' MET . 52.6 mt -111.17 -179.26 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -87.13 139.21 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.94 135.84 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.23 18.04 65.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 42.42 112.518 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.43 127.74 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 73.22 111.118 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.9 mm -129.19 115.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.156 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.601 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 9.6 t-20 -120.72 91.82 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.891 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 6.5 tt0 -52.01 -36.8 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 71.2 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -52.73 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 52.11 110.927 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.601 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.54 -25.93 40.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 51.33 111.085 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.7 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 43.42 111.074 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -60.0 -47.63 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 50.43 111.129 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.92 -52.22 51.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.92 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.13 -33.45 76.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.3 111.102 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.38 -46.2 89.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -82.28 -24.14 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 45.33 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.69 39.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 62.13 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.714 HD11 ' C ' ' A' ' 95' ' ' ALA . 1.1 tp -51.84 153.82 2.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 75.43 110.912 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -91.12 95.85 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.59 130.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.453 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.5 t -134.96 112.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.12 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.715 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.51 178.53 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.892 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.25 30.45 7.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.13 161.31 37.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 72.15 110.881 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.5 t -156.71 129.46 4.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 63.31 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -22.9 31.17 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.258 . . . . 74.05 112.352 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.55 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.24 111.069 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.2 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.128 179.964 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.775 0.321 . . . . 73.1 111.125 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.7 68.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 53.34 111.049 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.91 -33.06 47.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 64.42 112.525 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.38 -30.99 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 73.13 111.112 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -28.02 25.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.924 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.3 t -86.23 -21.6 27.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -84.91 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.49 140.4 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.103 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -110.24 103.75 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 71' ' ' VAL . 89.1 m -139.56 143.68 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.141 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.793 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -129.57 134.84 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.45 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.53 141.48 51.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.093 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 77' ' ' PHE . 13.7 tp -115.87 135.37 54.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 63.41 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.517 ' N ' HD12 ' A' ' 18' ' ' LEU . 99.2 t -112.1 106.52 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.34 111.165 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.07 59.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 63.53 112.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.39 135.1 38.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 75.51 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -150.74 -169.51 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 54.22 110.857 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.54 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.43 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -110.06 83.19 2.85 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 65.42 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.17 17.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.262 . . . . 74.31 112.343 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.05 24.94 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 41.34 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -129.1 159.09 70.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 64.11 110.845 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.81 -16.71 37.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 74.2 112.381 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -25.52 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.88 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.37 -46.99 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.42 110.922 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -53.68 -34.64 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 74.04 110.866 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.702 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 87.1 t -77.23 -39.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.35 111.095 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttp -54.35 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.885 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.34 -20.26 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.97 -49.47 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.892 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.793 HD13 HG21 ' A' ' 16' ' ' ILE . 69.5 mt -70.85 -28.62 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.896 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 58' ' ' GLN . 11.1 mt -72.38 -43.28 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.917 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.882 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -56.85 -25.29 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.43 44.11 1.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 53.22 112.473 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.1 m-85 -125.35 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 73.21 110.943 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.17 121.93 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 35.2 t -114.33 131.6 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 62.2 111.174 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mt -124.91 75.25 66.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.639 0.733 . . . . 72.24 111.186 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.74 136.54 33.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 75.32 112.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.83 122.31 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 54.34 111.114 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 152.53 46.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 74.34 110.85 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.7 24.28 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 74.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -106.21 -34.0 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 72.2 110.944 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -78.94 -7.75 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.113 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.6 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.24 111.103 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.86 19.03 20.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.24 112.467 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -134.18 177.63 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 54.13 110.926 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.97 117.96 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.43 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -108.18 114.67 28.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 mt 58.75 25.92 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 53.13 110.936 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.31 6.4 68.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 72.05 112.463 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.511 ' CD ' HD21 ' A' ' 37' ' ' LEU . 43.4 mm-40 -103.21 131.29 50.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 72.25 110.872 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -62.18 141.59 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.22 154.62 20.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 75.41 112.522 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -147.15 137.13 23.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.914 0.387 . . . . 75.23 110.938 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.607 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.54 -31.04 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.43 111.098 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 t -157.68 151.49 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 65.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -62.46 -18.23 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.891 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.57 -18.37 64.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.99 -31.01 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.823 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 64' ' ' LEU . 65.3 t -50.4 108.47 1.03 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.643 0.735 . . . . 64.33 111.112 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.39 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 70.54 112.38 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -66.5 118.54 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 65.13 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -70.62 116.07 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.849 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -76.58 144.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.113 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.91 -24.23 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 63.42 110.849 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.516 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -143.45 118.77 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.648 HG22 HG11 ' A' ' 71' ' ' VAL . 23.9 t -103.01 115.58 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.621 ' OD1' HG23 ' A' ' 16' ' ' ILE . 2.0 m-20 -102.32 138.18 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.899 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.83 119.02 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.156 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.702 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 8.4 m-85 -119.74 -9.02 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.66 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -168.15 171.76 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -68.0 -59.08 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 51.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.82 -28.09 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.21 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.63 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.089 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -41.58 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 63.43 111.136 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -67.75 -52.97 31.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.16 -38.51 77.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 43.23 112.476 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.3 t -78.92 -33.69 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 63.33 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.65 -55.48 34.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.093 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.423 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.1 pt20 -52.15 -42.5 63.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.79 -44.56 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.858 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.72 77.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.13 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 113' ' ' ALA . 21.6 mt -74.92 -23.7 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 73.44 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.62 -51.42 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 52.53 111.11 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.35 -30.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 52.01 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.01 52.6 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.811 -0.709 . . . . 65.1 112.509 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -59.57 177.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 60.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -117.88 -30.16 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.1 m -152.82 158.1 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.6 tp -133.37 114.09 13.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 71.33 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.623 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.9 t-105 -115.68 136.74 52.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.931 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.601 ' HB3' HG11 ' A' ' 104' ' ' VAL . 62.3 mt -112.09 179.04 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.869 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.0 mm-40 -85.27 134.4 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.913 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.3 mt -51.88 127.08 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.908 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.96 18.21 16.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 50.24 112.463 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 100' ' ' LEU . 10.0 p -117.97 144.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 74.45 111.173 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -142.6 101.36 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -128.09 87.99 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 55.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 111' ' ' VAL . 36.6 tt0 -51.83 -34.17 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.864 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.18 94.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.903 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.116 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.675 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.087 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -77.98 -43.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 42.21 111.172 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' A' ' 87' ' ' ALA . 40.0 tp -51.98 -43.85 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 64.53 110.905 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -76.35 -29.26 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.22 111.059 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -70.69 -37.45 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.885 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.31 -35.65 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.23 -24.29 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.42 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.44 -10.25 33.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 73.11 112.445 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.3 tp -51.75 153.46 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.802 0.334 . . . . 73.4 110.873 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -88.45 99.91 12.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.877 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.9 p -91.62 127.56 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.128 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.623 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -134.13 109.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.3 111.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.86 -177.53 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.854 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.86 39.69 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 52.51 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -142.0 149.96 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.906 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.536 ' HB3' HD12 ' A' ' 102' ' ' LEU . 25.9 t -153.66 129.5 5.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.557 0.694 . . . . 60.21 110.887 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -22.92 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 62.12 112.366 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.93 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.02 111.101 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 54.0 111.142 179.989 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.853 0.359 . . . . 73.54 111.132 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.52 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.077 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.02 -32.08 50.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 75.2 112.514 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.02 -36.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 43.32 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.84 -31.61 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.941 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.522 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -81.15 -25.87 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -81.83 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.837 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -128.47 134.2 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.54 111.153 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -108.84 103.38 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.843 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 71' ' ' VAL . 75.8 m -139.75 142.07 36.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 61.51 111.176 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.826 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -128.07 136.06 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.55 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -126.24 143.33 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.132 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -115.74 135.4 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 51.33 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 86' ' ' VAL . 57.9 t -106.44 119.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 64.1 111.128 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.83 61.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 70.32 112.48 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 115.76 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 73.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 p -131.23 -176.02 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.22 110.869 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.38 43.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 54.02 110.887 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -109.82 83.69 2.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.21 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.28 18.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 64.22 112.352 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -96.87 24.49 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.887 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -130.23 160.04 67.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 72.13 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -20.44 34.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.31 112.33 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -24.86 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.14 -48.91 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 62.45 110.968 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -54.8 -35.05 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 63.13 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.726 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 11.0 p -77.22 -31.95 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.111 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.586 ' SD ' HD12 ' A' ' 56' ' ' LEU . 1.7 tmm? -62.77 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 62.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.52 -21.53 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.925 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.46 -47.36 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.925 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.826 HD13 HG21 ' A' ' 16' ' ' ILE . 80.4 mt -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 63.5 110.914 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 43' ' ' VAL . 10.8 mt -72.38 -46.22 56.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.877 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.48 -41.06 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -57.07 -25.25 58.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.916 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.56 42.46 2.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.33 112.529 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.651 ' HB3' HD13 ' A' ' 16' ' ' ILE . 82.7 m-85 -120.11 157.89 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 53.14 110.904 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -79.23 114.62 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.853 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.646 HG12 ' HD3' ' A' ' 45' ' ' PRO . 21.8 t -110.51 133.64 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.44 111.135 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -128.66 77.01 78.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 73.51 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 138.01 36.78 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 63.21 112.351 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.25 122.38 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 60.21 111.12 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.46 151.9 44.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 64.24 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.71 26.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 74.31 112.319 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -106.4 -32.76 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.91 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.554 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -79.02 -9.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.118 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.32 104.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.076 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.93 18.79 23.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 52.02 112.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -133.02 177.58 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 74.55 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.96 119.88 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.01 111.168 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 5.3 mt -115.76 113.5 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.886 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' SD ' ' A' ' 33' ' ' MET . 27.2 mt 62.8 27.8 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.964 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.01 -0.06 85.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 55.33 112.498 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.4 ' CG ' HD11 ' A' ' 37' ' ' LEU . 29.9 mm-40 -95.15 138.42 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 72.45 110.891 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.91 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.34 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.554 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.77 153.47 20.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 44.42 112.509 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -146.07 136.0 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 55.12 110.889 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.622 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.18 -25.37 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 54.54 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -168.05 156.07 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.02 111.124 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -58.99 -25.8 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 63.33 110.901 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.75 0.5 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.151 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.71 -20.07 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 71.43 110.896 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -102.57 133.03 20.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 70.13 111.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.1 Cg_endo -69.73 -42.27 3.58 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.385 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.19 139.78 28.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -102.9 118.87 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.736 HG11 HG22 ' A' ' 74' ' ' VAL . 9.2 p -74.11 142.71 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.137 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.76 -24.18 17.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.905 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.509 ' H ' HG22 ' A' ' 71' ' ' VAL . 24.1 ttm -142.74 113.93 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.11 110.857 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.736 HG22 HG11 ' A' ' 71' ' ' VAL . 53.0 t -95.86 111.1 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 65.22 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.2 m-20 -97.99 132.53 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.885 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.56 125.6 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 52.25 111.131 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.726 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 56.6 m-85 -131.07 9.03 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.2 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -64.77 -73.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.886 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -161.96 179.19 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.861 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -74.32 -60.29 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 51.23 110.833 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.65 -25.67 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -76.94 -23.59 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 53.53 111.116 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -38.57 54.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.074 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -68.14 -54.48 17.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 72.54 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.98 -39.1 67.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 19' ' ' VAL . 41.1 t -75.0 -33.18 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 62.03 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -58.02 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.69 -42.59 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.938 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' ILE . 19.0 mt-10 -61.8 -38.89 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.01 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.22 111.084 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.792 HD12 HD22 ' A' ' 112' ' ' LEU . 51.3 mt -73.85 -29.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 62.43 111.123 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.29 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.088 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 64' ' ' LEU . 35.7 pt -70.62 -24.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.64 49.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.442 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.559 ' O ' HD11 ' A' ' 118' ' ' LEU . . . -69.68 -176.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 72.33 111.101 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -127.84 -37.93 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.59 158.46 44.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.168 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 tp -140.54 103.79 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.542 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.1 t-105 -99.91 137.02 38.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.906 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 122' ' ' MET . 86.9 mt -112.75 -173.99 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 74.25 110.971 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.555 ' HB2' HG21 ' A' ' 104' ' ' VAL . 1.2 mm-40 -86.56 151.88 23.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.916 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.48 142.8 56.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.16 74.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 74.01 112.504 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 101' ' ' GLN . 40.8 t -122.17 100.82 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 64.24 111.1 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mt -99.31 109.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 55.13 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -113.77 87.39 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 111' ' ' VAL . 5.2 tp10 -52.68 -35.71 55.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 71.51 110.928 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -52.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.82 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.14 111.121 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -77.19 -34.34 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.42 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 107' ' ' GLU . 23.8 t -69.14 -44.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 71.25 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.792 HD22 HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -51.51 -52.18 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -66.1 -29.63 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.105 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.85 -24.98 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.18 -33.38 67.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.63 -24.38 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 43.13 111.092 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.64 -6.83 33.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 71.35 112.464 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 95' ' ' ALA . 1.8 tp -51.87 164.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.325 . . . . 53.21 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -103.04 95.68 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.83 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 110' ' ' ALA . 6.6 p -91.54 140.43 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 75.21 111.131 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.542 HG11 ' CH2' ' A' ' 99' ' ' TRP . 53.6 t -140.62 108.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 61.42 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.591 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.13 175.07 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.919 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.8 t0 60.44 31.36 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.876 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -143.83 168.24 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 44.41 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.07 138.46 3.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.41 110.893 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.3 28.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 43.13 112.318 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.05 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.1 mm . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.132 -179.989 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.8 pt . . . . . 0 N--CA 1.458 -0.055 0 CA-C-O 120.825 0.345 . . . . 75.23 111.157 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.94 -39.37 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 53.12 111.115 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.42 -32.95 49.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 64.1 112.509 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.39 -30.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 62.31 111.158 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.12 -27.38 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -87.71 -20.71 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.131 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -85.42 -67.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.872 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.728 HG23 ' OD2' ' A' ' 72' ' ' ASP . 1.7 t -128.54 132.15 48.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -109.01 104.02 13.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 m -139.43 141.62 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.169 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.417 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.1 mp -132.49 136.42 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 60.44 111.106 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -129.06 131.71 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 32.42 111.095 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 135.45 39.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 86' ' ' VAL . 43.4 t -106.04 119.6 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.45 111.145 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.38 48.11 5.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.475 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.3 119.73 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 63.24 111.096 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -123.96 -175.51 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 63.35 110.859 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.29 43.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 64.23 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.93 87.55 4.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 50.15 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 71.23 112.34 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.44 23.93 11.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.88 160.78 47.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 63.24 110.856 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.8 -18.77 36.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 74.54 112.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -76.95 -27.3 54.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -88.19 -45.59 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.908 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 8.6 ptm180 -53.48 -33.4 54.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 65.45 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.672 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.1 p -77.15 -36.2 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.138 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttm -58.53 -61.7 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -64.56 -21.05 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.65 -47.27 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 50.9 mt -67.36 -40.56 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.05 -46.84 87.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 64.25 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.66 -53.73 54.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.816 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -57.56 -25.38 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.29 53.91 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 44.41 112.494 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -124.33 168.25 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 74.44 110.926 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.07 114.38 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.889 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.8 OUTLIER -108.89 142.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.05 111.166 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -129.44 77.96 76.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 63.05 111.144 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.83 12.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 73.12 112.322 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.83 122.21 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.147 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 152.86 47.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 75.33 110.906 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.72 24.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 52.03 112.335 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.31 -34.25 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.635 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.54 -5.74 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.124 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -55.22 100.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 52.41 111.067 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.38 20.46 15.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 72.1 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -136.89 170.55 15.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 75.32 110.912 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 119.62 35.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.183 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -111.38 116.95 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.936 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt 58.34 22.88 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.932 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.48 6.46 66.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 53.41 112.478 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.561 ' HG3' HG23 ' A' ' 43' ' ' VAL . 43.0 mm-40 -105.98 133.85 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 74.24 110.912 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.61 142.11 57.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.34 110.855 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.95 155.47 20.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 73.55 112.485 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -148.23 138.49 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 72.23 110.933 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.08 -26.35 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.116 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -161.26 152.14 18.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.33 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.6 -15.51 61.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.894 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 11.76 21.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.166 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -113.08 -20.6 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.876 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.44 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -82.7 133.16 49.76 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 75.52 111.095 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.5 Cg_endo -69.79 -42.08 3.69 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 74.1 112.369 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.76 151.52 45.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -101.13 144.52 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.5 p -91.29 144.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 72.52 111.078 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD2' HG23 ' A' ' 13' ' ' THR . 7.4 t70 -91.93 -37.43 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.863 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 ttp -140.35 114.16 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 98' ' ' LEU . 32.3 t -80.77 106.9 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.12 111.136 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.65 99.7 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.8 107.46 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.143 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.672 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 16.9 m-85 -119.8 -9.29 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -51.55 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 54.44 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -174.77 178.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.887 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.5 p -68.11 -53.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.12 -36.63 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.834 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.87 -28.7 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.12 111.073 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -42.61 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.537 ' CZ3' HD12 ' A' ' 112' ' ' LEU . 58.2 t-105 -63.09 -54.48 37.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.76 -39.24 61.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 72.25 112.523 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 19' ' ' VAL . 58.6 t -75.93 -34.27 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 64.13 111.078 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.66 -54.21 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.048 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.45 -42.03 91.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.68 ' HB3' HD11 ' A' ' 64' ' ' LEU . 1.8 mt-10 -58.59 -45.96 88.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.913 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' CB ' ' A' ' 95' ' ' ALA . . . -59.84 -39.38 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 65.24 111.111 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.754 HD12 HD22 ' A' ' 112' ' ' LEU . 48.6 mt -68.54 -28.44 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.32 111.119 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.15 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.22 111.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 HD12 ' A' ' 64' ' ' LEU . 40.3 pt -83.01 -27.83 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.25 111.132 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.79 58.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.474 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.674 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -70.25 -169.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 55.23 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.467 ' NZ ' HG21 ' A' ' 13' ' ' THR . 21.0 mtmt -130.0 -40.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.15 110.868 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -142.1 158.43 43.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.117 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 120' ' ' VAL . 2.9 tp -140.07 121.89 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.546 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.9 t-105 -120.37 126.93 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 64.53 110.866 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.646 ' HB3' HG11 ' A' ' 104' ' ' VAL . 50.3 mt -99.95 -175.51 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 45.14 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.457 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.8 tp60 -85.85 135.21 33.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.896 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.2 125.05 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.14 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.19 20.28 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.499 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.646 HG11 ' HB3' ' A' ' 100' ' ' LEU . 9.5 p -116.32 145.32 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 74.2 111.127 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 61.9 mt -143.33 101.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 70.34 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -120.35 90.84 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.922 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 111' ' ' VAL . 70.2 tt0 -53.08 -32.78 48.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.853 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -53.71 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.22 -27.72 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.126 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.16 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.088 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.6 t -73.35 -43.32 56.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.82 -53.75 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.925 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.04 -34.21 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 64.14 111.118 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -67.68 -31.33 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.81 -47.79 76.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.513 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -80.75 -24.23 38.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 72.52 111.154 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.98 -5.39 36.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 60.31 112.488 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.674 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.88 163.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 61.32 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.43 95.48 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.853 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.489 HG23 HD23 ' A' ' 98' ' ' LEU . 6.6 p -91.65 143.28 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.055 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.546 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.7 t -144.71 109.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.44 111.108 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.79 177.19 4.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.931 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 t70 51.95 35.01 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 62.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -144.79 159.32 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -158.3 133.09 5.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 75.33 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -16.59 37.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 52.35 112.318 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.45 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.9 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.32 111.15 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 pt . . . . . 0 N--CA 1.457 -0.092 0 CA-C-O 120.838 0.351 . . . . 74.54 111.146 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.97 -36.98 65.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.155 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.12 44.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 60.13 112.526 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -75.86 -30.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 65.1 111.135 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.32 -26.97 26.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.941 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.542 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -87.88 -21.65 24.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 71.41 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 t -84.14 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -128.34 143.52 51.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.23 111.153 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.51 103.93 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -139.48 143.46 37.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 63.04 111.133 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 41' ' ' TYR . 3.8 mp -130.26 118.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 62.11 111.12 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -112.85 124.95 53.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.12 111.088 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.842 HD23 ' HB2' ' A' ' 21' ' ' ALA . 1.3 tp -94.28 135.45 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.88 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.73 117.5 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.112 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.23 74.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.12 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.842 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -110.03 155.07 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 74.32 111.11 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -168.62 -169.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -95.0 44.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -109.91 83.41 2.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 74.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 74.52 112.374 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -97.34 24.82 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -132.43 159.53 71.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.55 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.8 -14.39 35.89 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 64.42 112.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -26.21 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.889 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.52 -46.72 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.912 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 16.4 ptp180 -53.44 -34.05 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.24 110.828 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 77' ' ' PHE . 97.5 t -77.32 -36.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 60.44 111.092 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ttt -57.81 -63.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.17 -22.31 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.923 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.0 -51.37 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 16' ' ' ILE . 97.1 mt -64.06 -35.65 81.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.935 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.62 -37.92 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.76 -55.84 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.6 mm100 -59.45 -25.37 64.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.88 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 71.25 0.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 53.34 112.528 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 33.0 m-85 -136.45 168.89 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 72.42 110.9 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -89.79 103.74 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.798 HG12 ' HD3' ' A' ' 45' ' ' PRO . 93.1 t -100.25 130.08 50.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 73.52 111.128 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mt -129.42 79.37 74.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 73.2 111.169 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.798 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.72 149.38 67.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 75.52 112.396 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.13 121.75 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 75.23 111.1 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.578 ' HB2' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -146.73 151.87 43.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 74.33 110.863 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.86 31.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 44.43 112.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -106.54 -26.36 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.918 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 47' ' ' SER . 10.7 m -89.01 11.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.12 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.41 82.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.09 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 2.77 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 63.15 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -121.59 159.34 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 74.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.54 111.14 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.38 110.41 21.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 63.3 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt 59.49 20.62 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.23 -9.68 54.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 62.41 112.493 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.7 123.89 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 62.02 110.896 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -60.83 129.16 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.75 172.06 43.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 75.42 112.477 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -156.23 136.66 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 72.03 110.943 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -57.94 -25.18 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 72.44 111.047 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -172.59 164.4 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.115 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 93' ' ' ILE . 4.1 pp -64.71 -15.45 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.885 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 12.05 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.55 111.094 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -112.08 -20.84 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.866 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -86.0 132.91 42.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 72.12 111.093 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.74 -42.69 3.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.719 2.279 . . . . 63.23 112.357 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.03 151.76 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 71.5 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -101.74 133.07 47.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.884 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.3 p -74.09 144.13 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.137 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -95.14 -33.92 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.797 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.2 ttp -139.8 111.64 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.405 HG22 HG11 ' A' ' 71' ' ' VAL . 24.0 t -88.6 123.62 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.102 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -111.23 121.11 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.04 110.879 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -107.49 116.55 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.22 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 32' ' ' VAL . 66.8 m-85 -120.07 -9.09 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -51.32 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -156.08 179.52 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 73.03 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.3 p -73.88 -56.09 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 54.33 110.867 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.3 -28.37 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 53.12 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.69 -26.58 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.093 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -42.01 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 63.23 111.073 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -66.24 -53.75 33.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.72 -39.92 77.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.1 112.472 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 82' ' ' ALA . 76.8 t -75.33 -35.92 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 73.35 111.155 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.3 48.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.12 111.143 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.28 -42.09 90.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.881 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.803 ' HB3' HD21 ' A' ' 64' ' ' LEU . 4.7 mt-10 -60.42 -46.56 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 65.25 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.713 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.35 -50.05 71.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.123 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.39 -32.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.159 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.9 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 43.55 111.103 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.029 HD13 HD13 ' A' ' 64' ' ' LEU . 33.0 pt -74.15 -30.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.108 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.04 60.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.713 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -69.61 178.17 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 61.21 111.111 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.29 -34.48 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 60.2 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.472 ' OG1' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -149.05 157.88 43.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 53.14 111.169 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.6 tp -138.76 132.47 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 65.34 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.4 t-105 -129.96 142.88 50.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 63.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 122' ' ' MET . 23.3 mt -119.4 -173.86 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.91 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.655 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.7 mm-40 -80.36 169.55 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -86.89 133.05 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.931 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.83 -12.24 68.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.488 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 101' ' ' GLN . 10.6 p -90.19 141.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 41.13 111.147 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.7 mt -135.48 105.4 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 62.22 111.121 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.07 90.26 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 111' ' ' VAL . 22.1 tt0 -60.72 -36.09 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -40.9 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 61.53 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.76 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.047 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.769 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -69.97 -33.85 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 44.03 111.113 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.7 t -76.12 -45.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.27 -35.11 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 63.21 110.884 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -86.08 -30.65 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 51.33 111.075 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.98 -33.05 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.835 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.79 -35.15 76.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.885 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.3 -24.05 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 64.15 111.141 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.13 -10.87 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 71.55 112.52 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.48 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -51.81 160.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 73.01 110.951 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -104.52 94.88 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.823 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -92.44 134.14 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.095 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.467 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -137.56 108.11 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.088 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 100' ' ' LEU . 1.2 ptt? -107.29 -178.58 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.896 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.65 34.7 16.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 70.45 110.835 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -148.02 137.54 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.63 ' HB3' HD12 ' A' ' 102' ' ' LEU . 12.3 t -125.57 129.06 24.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 52.44 110.842 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -15.08 36.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.278 . . . . 73.52 112.366 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 43.41 111.106 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.096 -179.994 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.829 0.347 . . . . 72.2 111.127 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.92 -37.12 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.64 -34.3 44.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 75.51 112.507 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -75.73 -29.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.911 0.386 . . . . 73.53 111.177 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.4 -27.15 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 63.05 110.944 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.0 -21.43 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.108 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -84.15 -67.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.862 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.37 141.06 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -114.84 103.7 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.8 125.52 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.108 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 41' ' ' TYR . 4.4 mp -115.51 134.96 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 61.45 111.104 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 70.42 111.144 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 120.72 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.436 ' HA ' HG12 ' A' ' 46' ' ' VAL . 67.8 t -90.12 114.22 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 44.04 111.14 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 65.92 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 34.03 112.453 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 45' ' ' PRO . . . -105.99 107.2 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 72.12 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.38 -168.82 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.82 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -92.43 43.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.15 110.818 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -109.65 84.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 74.25 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.42 18.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 71.41 112.296 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.49 25.5 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 72.25 110.851 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -129.6 160.15 66.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 75.34 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.8 Cg_endo -69.8 -16.39 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 63.25 112.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -77.49 -27.96 52.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 45.31 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.71 -44.93 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.89 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.8 ptm180 -53.19 -31.82 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.877 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 77' ' ' PHE . 90.7 t -77.08 -41.23 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.114 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.743 ' HG3' HG11 ' A' ' 43' ' ' VAL . 24.3 ttp -54.81 -60.14 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.862 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.08 -22.45 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.06 -48.44 62.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 16' ' ' ILE . 88.5 mt -70.75 -35.1 72.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 HD13 ' A' ' 56' ' ' LEU . 45.9 mt -65.8 -38.92 90.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.55 -46.47 38.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.891 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -56.92 -25.3 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.85 53.4 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 34.54 112.512 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.598 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.5 m-85 -133.26 176.25 8.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.383 . . . . 65.21 110.928 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.39 114.19 28.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.743 HG11 ' HG3' ' A' ' 33' ' ' MET . 58.4 t -105.32 124.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 42.23 111.166 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mt -113.99 77.61 3.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.612 0.72 . . . . 72.42 111.122 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.679 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.73 145.74 58.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 61.54 112.363 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 46' ' ' VAL . 12.4 p -135.42 122.36 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.153 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.4 151.77 40.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 32.55 110.879 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.735 2.29 . . . . 75.12 112.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -106.77 -26.6 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.94 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 47' ' ' SER . 15.1 m -88.91 10.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.3 82.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 42.34 111.107 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.73 1.2 6.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 54.14 112.488 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 156.29 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 63.55 110.916 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.93 108.95 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 54.01 111.107 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 113.93 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.927 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.529 HD13 HD12 ' A' ' 37' ' ' LEU . 4.6 mt 57.04 25.43 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.13 65.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.497 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -94.72 121.37 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 71.25 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -61.87 131.15 48.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.51 42.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.508 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -155.69 136.84 13.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 73.31 110.895 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.16 -37.64 77.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.081 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.8 t -154.3 166.07 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.125 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 89' ' ' GLU . 4.0 pp -68.2 -15.26 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.883 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.87 11.74 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.103 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -117.93 -13.62 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.3 p -99.15 104.72 27.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.05 111.114 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.07 24.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.733 2.289 . . . . 73.14 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.71 126.6 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.74 117.35 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.02 145.41 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 73.11 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.03 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.899 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.4 tpp -141.94 127.32 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.2 t -106.53 97.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.23 133.41 42.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.852 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.58 109.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 32' ' ' VAL . 83.6 m-85 -124.97 -1.92 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.838 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -51.77 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -157.0 177.61 11.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.5 m -74.95 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.45 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.13 -28.54 70.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.52 -25.01 50.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.069 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.1 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.058 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -68.12 -52.47 34.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -36.35 76.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 63.4 112.455 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 82' ' ' ALA . 91.3 t -80.68 -32.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 73.12 111.158 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.611 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -62.7 -49.15 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.061 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -57.33 -43.29 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.683 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.1 mt-10 -65.7 -45.76 81.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.848 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -48.16 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 50.05 111.123 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.61 -30.55 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.42 111.101 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.16 -49.89 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.45 111.025 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 64' ' ' LEU . 36.1 pt -71.27 -30.24 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 52.44 111.128 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.12 55.82 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.448 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.81 177.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.51 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -121.6 -34.62 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -153.23 158.39 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 64.3 111.162 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.9 tp -135.38 129.39 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.655 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.0 t-105 -129.5 129.63 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.917 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.478 HD12 ' HG2' ' A' ' 122' ' ' MET . 34.9 mt -112.13 -169.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 44.25 110.893 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.73 149.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.6 tp -77.27 137.05 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.2 -22.24 40.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.509 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.89 149.92 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 73.32 111.125 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.0 mt -141.38 112.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.33 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.34 95.52 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.3 pt-20 -51.18 -48.34 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -47.45 85.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.952 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.82 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 60.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.474 ' HB2' ' SD ' ' A' ' 122' ' ' MET . . . -74.31 -46.7 39.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.069 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.0 t -59.76 -39.98 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.11 111.155 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.3 tp -54.04 -58.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 53.03 110.9 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.23 -27.97 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 24.24 111.066 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -66.79 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 70.33 110.926 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.46 -35.82 80.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.927 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.52 -24.12 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.15 111.116 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.78 -8.6 54.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 53.13 112.486 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.6 tp -52.1 149.46 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 72.3 110.907 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 m -81.82 97.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.98 123.46 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 60.4 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.655 HG11 ' CH2' ' A' ' 99' ' ' TRP . 60.1 t -121.93 105.69 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.05 111.173 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.478 ' HG2' HD12 ' A' ' 100' ' ' LEU . 33.1 mtm -104.25 178.46 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.901 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 41.65 40.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HD12 ' A' ' 102' ' ' LEU . 54.7 mmm-85 -150.27 133.39 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.8 t -136.57 129.45 17.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 72.51 110.906 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 2.259 . . . . 74.23 112.369 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.33 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.105 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 39.9 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.094 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 pt . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.856 0.36 . . . . 44.22 111.153 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.409 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.09 -38.9 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.102 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.568 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.86 -32.96 47.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.471 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.484 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.5 mp -75.25 -30.86 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 73.54 111.175 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.28 -27.79 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.568 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.4 t -86.61 -21.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 54.02 111.149 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 51.4 110.889 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 144.65 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 52.02 111.171 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -117.11 103.79 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.618 HG22 HG23 ' A' ' 71' ' ' VAL . 98.9 m -139.6 143.64 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 41.44 111.148 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -127.28 135.09 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -121.45 132.05 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 62.4 111.153 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.5 tp -110.55 135.56 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.899 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.53 133.32 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 64.42 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.11 51.01 5.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 62.11 112.477 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -87.39 139.42 30.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 63.23 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -157.4 -169.31 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.32 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.12 41.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 62.42 110.837 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -110.24 82.96 2.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 73.31 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.93 17.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 72.05 112.349 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -98.65 26.41 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.851 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -131.6 160.07 69.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 63.4 110.874 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.74 -16.38 37.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.722 2.281 . . . . 60.41 112.359 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.21 -27.68 53.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.816 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.58 -44.67 11.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 73.43 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -30.39 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.857 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 77' ' ' PHE . 92.7 t -77.1 -35.87 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 52.34 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 37' ' ' LEU . 2.5 tpt -61.44 -60.23 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.872 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -24.87 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 61.34 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.46 31.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 60.31 110.919 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 16' ' ' ILE . 58.6 mt -67.06 -36.99 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 65.44 110.889 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.734 HD12 HD22 ' A' ' 56' ' ' LEU . 25.9 mt -70.06 -28.94 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.926 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.77 -55.97 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.861 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -57.69 -25.24 60.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 45.14 110.883 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.68 43.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -107.19 172.88 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 55.32 110.928 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -101.93 110.29 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.405 HG11 ' SD ' ' A' ' 33' ' ' MET . 18.8 t -107.1 147.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.122 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -135.57 80.45 44.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.631 0.729 . . . . 75.33 111.146 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.14 39.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 64.45 112.375 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -133.52 121.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 70.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.72 151.95 43.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 71.14 110.819 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.76 26.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 64.42 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -107.0 -31.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 70.24 110.919 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 m -81.48 0.48 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 61.12 111.116 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -63.65 90.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.14 111.067 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.48 1.61 10.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 63.24 112.492 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -116.54 177.75 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 63.24 110.897 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.26 103.61 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.157 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -88.86 112.84 23.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.899 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 37' ' ' LEU . 4.7 mp 56.46 29.44 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.13 -3.89 77.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 44.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 43.4 mm-40 -94.68 126.34 39.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 62.35 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -67.38 119.24 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 64.13 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.23 171.08 43.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 44.23 112.468 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -155.95 135.7 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 71.22 110.91 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.11 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -150.38 147.23 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.3 111.142 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.05 -15.2 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.973 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.78 12.68 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.106 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -112.8 -20.62 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.89 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -79.66 132.95 59.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 54.55 111.173 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.72 -42.56 3.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 62.43 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.08 130.94 45.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 54.2 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -91.22 117.54 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 54.02 110.935 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.866 HG21 ' HB2' ' A' ' 17' ' ' ALA . 8.0 p -74.26 144.57 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 54.21 111.133 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 9' ' ' ILE . 7.8 t0 -97.69 -24.14 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.842 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.482 ' H ' HG22 ' A' ' 71' ' ' VAL . 12.6 ttp -139.14 113.52 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 71' ' ' VAL . 72.4 t -97.23 114.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.54 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.559 ' OD1' HG23 ' A' ' 16' ' ' ILE . 1.6 m-20 -98.7 129.2 45.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 44.04 110.881 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -116.15 116.4 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 70.42 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.782 ' CE2' HG11 ' A' ' 32' ' ' VAL . 72.1 m-85 -121.32 -6.3 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -51.1 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.91 -179.76 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -74.2 -55.2 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.838 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.41 -27.37 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.919 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 71.25 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.27 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.099 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 112' ' ' LEU . 52.8 t-105 -65.36 -54.28 31.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.57 55.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 64.35 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 82' ' ' ALA . 38.4 t -78.51 -38.18 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 61.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -58.71 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.102 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -53.19 -43.13 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.51 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.7 mt-10 -58.42 -43.18 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 60.03 110.893 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -68.36 -38.79 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.4 111.073 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 112' ' ' LEU . 34.4 mt -70.78 -25.24 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.24 111.146 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.6 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 54.11 111.13 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 64' ' ' LEU . 25.2 pt -76.99 -30.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.04 78.72 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -84.16 -173.12 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 41.13 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.96 -38.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.874 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.38 158.29 43.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.148 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 tp -136.51 119.22 16.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.753 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.6 t-105 -118.07 137.79 52.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.945 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 122' ' ' MET . 51.8 mt -110.59 -173.1 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.731 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.5 tp60 -89.41 125.93 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.659 HD22 HD12 ' A' ' 128' ' ' ILE . 2.5 tp -51.75 114.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.07 5.89 16.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 63.11 112.507 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 101' ' ' GLN . 7.2 p -126.37 153.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 72.31 111.121 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.3 mm -137.26 118.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.15 111.15 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 4.3 m120 -121.13 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 61.45 110.878 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 111' ' ' VAL . 29.4 tt0 -58.84 -47.27 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.924 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -53.45 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 74.01 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.91 -30.22 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 111.075 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.86 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 52.42 111.117 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' GLU . 33.0 t -53.68 -43.49 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.133 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -51.32 -58.73 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 65.51 110.93 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.63 -33.65 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 35.12 111.098 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.28 -30.52 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.99 -46.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -74.11 -24.57 59.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.069 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.8 27.07 7.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 45.22 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.23 155.33 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.351 . . . . 54.04 110.908 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -87.62 100.01 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.5 110.921 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.551 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 20.7 t -91.52 143.24 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.085 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.753 HG11 ' CH2' ' A' ' 99' ' ' TRP . 98.3 t -149.64 105.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 54.55 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 100' ' ' LEU . 7.9 ptt? -110.23 -178.37 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 t0 51.18 32.67 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.547 ' HA ' HD12 ' A' ' 102' ' ' LEU . 40.9 mmt180 -152.41 141.29 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 128' ' ' ILE . 31.6 p -127.6 143.98 49.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 74.43 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -24.13 30.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 71.12 112.361 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.07 95.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.154 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.659 HD12 HD22 ' A' ' 102' ' ' LEU . 62.4 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.159 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 pt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.787 0.327 . . . . 65.24 111.146 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.489 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.92 -36.9 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.42 43.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 50.43 112.489 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -75.65 -30.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 52.2 111.141 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.27 -27.18 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.903 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.11 -21.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.116 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 t -84.74 -66.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 61.22 110.835 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -127.56 144.57 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.138 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -116.47 103.97 10.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.1 m -139.52 135.39 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 36' ' ' LEU . 4.2 mp -128.04 129.14 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.101 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -121.64 139.69 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 61.03 111.107 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.97 135.42 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 72.41 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.664 HG21 HG13 ' A' ' 86' ' ' VAL . 95.8 t -103.58 127.7 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 52.13 111.094 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.08 60.91 3.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 41.4 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 117.36 28.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 75.23 111.097 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 p -126.77 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 53.3 110.894 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.96 43.34 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 71.22 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -109.71 83.59 2.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.698 . . . . 63.52 110.894 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.21 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 72.43 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -97.6 25.68 5.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 55.33 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -130.49 160.17 67.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.14 110.909 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.81 -15.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 71.21 112.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -27.68 53.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.872 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.559 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.63 -45.41 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 72.12 110.912 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 14.3 ptm180 -53.25 -32.64 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.801 HG11 ' CE2' ' A' ' 77' ' ' PHE . 93.6 t -77.23 -36.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 61.42 111.104 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 55' ' ' LEU . 2.2 ttt -57.57 -59.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -66.63 -23.99 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -68.61 -51.46 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.935 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 HG21 ' A' ' 16' ' ' ILE . 95.4 mt -70.02 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.515 . . . . 74.1 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.5 mt -67.72 -46.71 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.896 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.12 -41.99 80.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 51.24 110.861 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -56.86 -25.42 56.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.941 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 50.93 1.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 73.42 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 16' ' ' ILE . 60.5 m-85 -124.91 -176.18 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 74.33 110.927 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -106.87 112.7 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.857 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 ' HD3' ' A' ' 45' ' ' PRO . 44.9 t -107.73 130.62 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 75.2 111.09 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.6 mt -127.14 76.51 76.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 72.41 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.73 139.62 40.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 71.4 112.319 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -132.02 122.18 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 61.21 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.74 151.5 42.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 71.53 110.838 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.85 24.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.34 112.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -106.28 -33.83 7.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.599 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -76.67 -10.43 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.148 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.35 104.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 53.52 111.082 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.4 25.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 71.52 112.511 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -136.41 169.83 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 65.11 110.952 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.71 114.71 25.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.154 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' HE1' ' A' ' 33' ' ' MET . 14.9 tp -106.4 112.0 24.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.925 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.559 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.8 mp 58.48 22.73 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 63.45 110.892 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.55 -5.57 70.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 73.21 112.514 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -94.71 128.68 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 71.23 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -58.3 141.13 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.893 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.599 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -94.46 153.44 21.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.615 ' CG ' HG22 ' A' ' 67' ' ' VAL . 13.4 m-85 -144.49 133.95 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 73.33 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.46 -33.22 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 64.42 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.6 p -149.21 146.09 27.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.165 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.29 -32.05 68.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.914 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -74.8 -4.66 38.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 61.34 111.085 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.34 -5.82 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.615 HG22 ' CG ' ' A' ' 61' ' ' TYR . 22.2 t -89.16 132.39 37.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.721 . . . . 73.11 111.106 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.65 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 70.3 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -77.68 155.34 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.9 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -103.09 128.62 49.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.939 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 17' ' ' ALA . 7.2 p -74.37 137.46 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.23 111.141 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -93.1 -31.07 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -137.3 112.17 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 60.11 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 71' ' ' VAL . 81.2 t -87.63 129.86 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.4 111.158 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.52 112.43 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 83' ' ' ALA . 22.3 t -109.25 105.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.091 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.801 ' CE2' HG11 ' A' ' 32' ' ' VAL . 24.1 m-85 -125.87 -0.81 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.03 110.9 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -52.0 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -153.48 177.39 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.845 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 p -71.12 -54.87 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.02 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.94 -26.73 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.64 -24.72 50.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 71.45 111.092 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HA ' HG11 ' A' ' 76' ' ' VAL . . . -51.69 -38.83 56.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.12 111.111 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -69.92 -53.49 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.07 82.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 64.34 112.461 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 19' ' ' VAL . 91.1 t -78.86 -28.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 53.15 111.144 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.622 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -66.28 -51.5 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 71.01 111.112 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.421 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.5 pt20 -57.4 -42.57 82.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.883 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.98 -47.01 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 52.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -65.21 -42.7 93.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.093 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD22 ' A' ' 118' ' ' LEU . 37.4 mt -69.41 -30.38 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.33 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.98 78.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.101 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.484 HG22 ' HB2' ' A' ' 65' ' ' ALA . 50.9 pt -77.45 -24.68 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 64.43 111.133 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.63 63.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 62.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.66 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -79.51 179.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 72.32 111.121 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -128.64 -39.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.925 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.61 157.8 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 45.34 111.164 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.1 tp -138.88 126.12 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.634 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.3 t-105 -125.14 135.11 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.33 110.922 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 76' ' ' VAL . 63.0 mt -108.95 -174.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.914 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.6 tp60 -81.24 149.89 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 120.39 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.41 28.05 7.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.517 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.28 149.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 65.03 111.16 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.79 101.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 7.5 t-20 -120.6 88.66 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.891 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 111' ' ' VAL . 17.1 pt-20 -51.53 -47.96 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.27 -46.62 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.912 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -64.37 -28.02 69.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.06 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.57 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -77.07 -40.89 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.168 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 87' ' ' ALA . 28.4 tp -53.18 -47.86 68.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.877 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -71.26 -30.68 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.135 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -71.62 -30.15 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.855 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.23 -35.0 77.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.868 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.7 -24.14 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 61.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.33 -13.14 30.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 72.25 112.492 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.66 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.3 tp -51.74 149.51 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 73.02 110.882 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 99.89 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.65 133.08 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.117 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.634 HG11 ' CH2' ' A' ' 99' ' ' TRP . 46.0 t -133.93 110.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -111.27 177.35 4.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.876 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.3 t0 57.16 29.92 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -151.96 154.18 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.0 t -155.65 129.03 4.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 64.14 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -13.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 72.24 112.352 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.5 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.085 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 63.7 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 72.35 111.126 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 N--CA 1.457 -0.086 0 CA-C-O 120.825 0.345 . . . . 75.45 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.109 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.35 -35.16 43.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 53.35 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -75.39 -30.11 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.42 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.51 -25.98 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.33 110.955 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -89.51 -19.76 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.157 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 t -86.35 -67.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 m -128.56 139.8 52.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 55.23 111.184 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.848 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.433 HG22 HG23 ' A' ' 71' ' ' VAL . 58.5 m -141.16 122.45 14.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 45.32 111.145 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -115.5 137.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -128.25 124.87 37.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.119 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 21' ' ' ALA . 1.7 tt -95.77 135.43 37.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 62.03 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.73 HG21 ' CG1' ' A' ' 86' ' ' VAL . 94.4 t -95.76 130.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 73.52 111.143 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 58.71 10.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 70.41 112.46 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.58 105.61 17.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 73.45 111.095 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t -112.53 -169.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.858 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.45 46.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 71.52 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -109.74 83.87 2.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 74.22 110.88 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.24 18.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.69 2.26 . . . . 74.52 112.336 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.91 22.69 8.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.877 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -130.3 160.42 65.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 65.33 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.99 35.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 50.52 112.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.03 -25.65 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 54.42 110.851 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.498 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.7 t80 -88.76 -46.11 9.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 75.34 110.958 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -53.71 -35.27 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.909 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.721 HG21 ' CD2' ' A' ' 77' ' ' PHE . 26.7 m -77.11 -28.7 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.105 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.4 ttp -66.0 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -61.0 -24.03 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -50.51 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.936 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 16' ' ' ILE . 91.4 mt -69.75 -29.51 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 60.11 110.934 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.6 mt -66.32 -46.75 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.72 -41.51 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 51.44 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -56.57 -24.81 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 70.53 110.936 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.63 3.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.475 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 53.7 m-85 -116.12 154.64 29.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 73.34 110.902 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.53 117.09 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.867 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 95.6 t -110.07 132.49 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 70.11 111.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.21 79.74 72.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.73 . . . . 74.1 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.72 112.78 3.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.42 112.41 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 61' ' ' TYR . 48.3 t -105.71 122.09 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 70.34 111.14 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -146.85 151.96 43.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.736 0.779 . . . . 61.55 110.833 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 61.43 112.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.41 -27.87 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.03 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' SER . 14.1 m -86.91 8.35 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.104 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -68.72 83.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.135 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 5.3 6.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 72.53 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -123.19 177.48 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 104.31 8.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.086 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.34 118.11 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.498 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.9 mp 58.77 22.22 9.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 52.34 110.912 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.09 69.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.439 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -94.91 129.18 42.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 74.22 110.936 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -62.03 130.16 44.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.925 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.56 167.6 35.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 75.33 112.525 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.6 m-85 -152.93 137.65 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 61.53 110.902 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.61 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.18 -25.91 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 t -170.19 156.77 6.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.166 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.145 HD13 HD13 ' A' ' 93' ' ' ILE . 4.0 pp -64.47 -15.47 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.86 14.2 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 34.3 111.126 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.72 -21.19 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.853 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -91.66 132.98 31.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 74.43 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.4 Cg_endo -69.78 -42.31 3.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 75.42 112.381 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.89 146.13 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -100.42 126.06 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 9.8 p -82.13 140.64 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 52.1 111.177 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.8 -26.85 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.896 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.438 ' HE2' ' HB2' ' A' ' 99' ' ' TRP . 7.8 tpt -134.79 132.21 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.8 111.85 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.118 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -93.38 124.35 37.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.869 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.3 t -117.71 102.66 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 53.33 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.721 ' CD2' HG21 ' A' ' 32' ' ' VAL . 80.7 m-85 -120.09 -1.27 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -156.07 177.97 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.2 t -75.08 -54.51 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.12 -28.01 69.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.42 -24.95 64.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 42.21 111.141 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.26 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 44.13 111.11 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.0 t-105 -72.15 -54.59 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.89 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.67 -36.65 86.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 61.34 112.532 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.73 ' CG1' HG21 ' A' ' 19' ' ' VAL . 20.8 t -75.27 -34.87 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 43.22 111.12 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.23 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.11 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.94 -45.28 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.73 -44.68 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.59 85.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 42.33 111.058 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.763 HD12 HD22 ' A' ' 112' ' ' LEU . 45.6 mt -69.65 -37.99 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.12 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.26 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 43.24 111.117 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.145 HD13 HD13 ' A' ' 64' ' ' LEU . 37.4 pt -73.7 -29.32 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 75.04 111.077 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.42 57.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.4 112.497 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.649 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.22 -170.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.41 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -123.11 -35.25 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 m -150.84 158.27 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.11 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.9 tp -140.97 134.13 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 54.33 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 121' ' ' VAL . 5.0 t-105 -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.911 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.8 mt -121.6 -173.7 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.901 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.726 ' O ' HG12 ' A' ' 104' ' ' VAL . 10.2 tp60 -79.17 157.89 27.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.895 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.26 133.21 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.955 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.53 -14.9 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 61.03 112.465 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 101' ' ' GLN . 8.7 p -90.61 148.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 64.13 111.134 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.34 107.61 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.131 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 18.2 t-20 -115.93 91.0 3.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 54.21 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.73 ' O ' HG23 ' A' ' 111' ' ' VAL . 46.1 tt0 -51.62 -37.68 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.922 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -52.75 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.32 110.927 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.47 -27.1 46.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.43 111.126 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.44 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.066 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.8 t -66.27 -43.63 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.16 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.63 -52.31 48.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.51 -29.14 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.095 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -33.61 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.35 110.923 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.854 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -78.28 -24.23 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 60.1 111.075 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.2 12.13 49.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 62.52 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -70.38 159.66 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 73.43 110.86 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.1 t -92.26 96.86 10.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.824 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -97.0 122.6 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 99' ' ' TRP . 39.3 t -124.58 105.78 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 52.53 111.111 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.685 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -109.6 -177.93 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.921 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 51.91 36.25 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.878 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.0 mtt180 -146.81 138.46 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 102' ' ' LEU . 7.0 p -117.24 117.98 36.17 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.32 110.945 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -17.54 37.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 61.21 112.35 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mm . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.205 179.899 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.857 0.36 . . . . 70.05 111.101 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.0 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 63.21 111.078 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.95 -32.42 49.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 74.2 112.498 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -75.91 -35.07 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 71.33 111.165 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.51 -30.05 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 64.52 110.921 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.539 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -83.42 -24.49 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.52 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.0 t -82.1 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.824 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -128.26 141.92 51.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.63 104.33 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.4 m -139.17 128.86 24.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.159 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -116.95 131.8 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.55 111.112 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.31 141.52 51.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.32 111.138 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 19' ' ' VAL . 15.1 tp -114.55 134.6 54.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 t -103.58 132.28 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 52.51 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 49.36 45.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.486 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 18' ' ' LEU . . . -85.13 143.37 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 31.43 111.074 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -176.63 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 52.23 110.884 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -92.15 43.23 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -107.67 91.71 7.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.531 0.681 . . . . 73.35 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.42 21.01 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 62.42 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -100.25 23.57 9.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.847 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -120.72 156.9 55.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 73.23 110.891 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.2 Cg_endo -69.7 -23.94 30.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.13 112.395 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -77.21 -19.41 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -85.97 -48.95 8.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 51.53 110.922 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 1.6 ptp85 -53.2 -36.89 61.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 48.7 t -76.6 -33.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 54.21 111.126 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.533 ' SD ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.73 -64.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.873 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.39 64.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.845 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.7 -45.74 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 16' ' ' ILE . 60.4 mt -72.62 -31.33 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 63.3 110.94 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.06 -46.65 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.943 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.4 -33.91 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.14 110.874 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.1 -25.34 66.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 62.33 110.91 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 47.85 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.489 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 16' ' ' ILE . 62.3 m-85 -121.25 -176.7 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 74.21 110.948 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -108.35 110.39 21.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.858 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.748 HG12 ' HD3' ' A' ' 45' ' ' PRO . 47.5 t -104.37 131.83 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 55.12 111.129 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -128.47 77.84 76.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 72.5 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.748 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.7 135.85 31.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 74.24 112.361 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.87 122.02 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 151.71 42.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 73.4 110.858 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 71.42 112.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -106.39 -32.79 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.12 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.73 -4.0 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -59.78 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.086 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.67 17.45 10.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 51.34 112.462 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -136.87 163.72 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 73.33 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -127.57 108.94 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 62.33 111.127 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 135.52 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt 59.23 20.39 8.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 43.53 110.863 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.22 3.75 84.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.14 112.439 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -104.56 135.55 45.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 73.22 110.918 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HA ' HG23 ' A' ' 54' ' ' THR . 21.6 tp60 -73.82 140.86 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.3 153.33 20.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 75.53 112.461 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -139.86 138.16 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 70.22 110.971 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -66.44 -31.75 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 31.44 111.081 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.4 p -147.95 150.63 34.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.162 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.036 HD13 HD13 ' A' ' 93' ' ' ILE . 4.2 pp -67.55 -15.11 63.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.919 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.58 11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.114 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -22.71 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -77.49 133.24 67.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 54.55 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.77 -42.11 3.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 72.1 112.367 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -68.09 118.78 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 137.58 47.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.5 t -88.45 144.94 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.168 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -112.17 -24.74 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.85 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -141.81 111.92 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.99 121.7 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.101 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' OD2' HG23 ' A' ' 16' ' ' ILE . 14.5 m-20 -107.06 130.38 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.901 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 t -109.36 117.0 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 45.25 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 9.2 m-85 -115.36 -20.46 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.846 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -51.53 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.857 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -168.06 177.18 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.35 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p -74.9 -46.63 34.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 70.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.5 -31.71 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 74.31 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -69.72 -27.92 65.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.52 111.09 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.85 -38.88 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -66.78 -54.44 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.913 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.34 -40.24 93.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.733 . . . . 64.34 112.433 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 82' ' ' ALA . 60.8 t -73.62 -37.47 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 72.15 111.121 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.424 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.73 -55.85 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.156 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.16 -42.47 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.891 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -45.88 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 60.23 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.821 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.01 -50.14 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 41.52 111.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.21 -26.09 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 61.24 111.113 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.41 -48.53 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 52.33 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.036 HD13 HD13 ' A' ' 64' ' ' LEU . 48.7 pt -74.48 -25.54 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.51 111.161 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.78 51.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.21 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.76 -178.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 54.21 111.085 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -135.59 -41.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.898 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.92 158.18 44.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 tp -140.37 129.71 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.2 t-105 -127.69 129.33 46.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.972 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.688 HD12 ' HB3' ' A' ' 122' ' ' MET . 47.2 mt -105.53 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.917 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.3 149.6 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.859 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.801 HD13 ' HB2' ' A' ' 125' ' ' CYS . 2.1 tp -56.78 141.86 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.3 26.25 70.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.12 112.496 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -122.38 130.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 72.01 111.143 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -136.48 107.52 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -117.08 89.68 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 54.52 110.882 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -53.23 -28.71 28.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -49.48 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.58 -25.4 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 43.52 111.108 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.676 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -72.53 -52.07 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.087 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.53 -33.07 55.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 63.41 111.15 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 87' ' ' ALA . 20.8 tp -54.62 -28.18 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.39 -39.9 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 53.43 111.14 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -53.96 -39.17 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -53.58 -29.26 36.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.03 -24.12 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 53.34 111.081 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.98 -8.4 36.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 34.53 112.474 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.8 151.08 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 74.25 110.896 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -90.22 100.05 12.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' A' ' 110' ' ' ALA . 12.3 p -91.72 132.1 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.128 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 99' ' ' TRP . 38.7 t -139.0 108.46 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.112 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.688 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.53 172.88 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.871 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.437 ' CA ' HD12 ' A' ' 102' ' ' LEU . 23.6 mmt180 -147.91 137.46 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.827 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.801 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -126.07 136.16 28.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 54.34 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -22.64 32.15 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 64.01 112.366 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.57 88.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.108 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 32.6 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.112 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 pt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.883 0.373 . . . . 74.14 111.158 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.78 -36.25 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 41.15 111.14 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.36 -34.69 44.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 50.12 112.479 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.85 -30.05 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 74.13 111.132 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.21 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.918 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.54 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -89.28 -20.9 23.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 75.5 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -84.48 -67.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -128.47 144.69 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.183 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -114.05 103.58 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.584 HG22 HG23 ' A' ' 71' ' ' VAL . 87.7 m -139.88 143.54 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 63.01 111.15 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.49 132.86 67.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.135 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -116.66 136.72 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.14 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.874 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.6 tp -117.64 134.48 54.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 73.41 110.906 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.401 HG21 ' CG1' ' A' ' 86' ' ' VAL . 33.0 t -107.64 120.63 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.123 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.72 66.18 1.47 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.499 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.874 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -104.21 88.06 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 75.42 111.074 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 m -98.53 -169.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.876 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -92.72 43.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 74.24 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -109.78 83.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 72.52 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.26 18.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 72.22 112.377 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -97.91 24.81 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.836 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -128.88 160.1 65.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 72.01 110.872 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.52 37.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 44.21 112.337 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -26.74 55.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.895 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.62 -47.96 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 71.21 110.953 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -53.66 -33.76 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 12.2 p -77.24 -32.22 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 61.02 111.134 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.0 ttp -62.71 -62.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.895 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -25.94 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.861 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.85 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.943 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.549 ' CD1' HG21 ' A' ' 16' ' ' ILE . 93.0 mt -67.17 -41.22 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.35 110.952 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 43' ' ' VAL . 21.5 mt -63.63 -46.75 84.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.948 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.23 -55.08 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.895 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -56.64 -25.15 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.907 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 69.04 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 75.51 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.92 165.02 28.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 75.14 110.927 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -91.54 115.47 28.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.893 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.66 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.0 t -112.31 138.04 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.8 mt -130.75 75.75 78.3 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 73.31 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.66 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.68 137.9 36.81 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 65.45 112.394 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -133.43 122.4 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 62.23 111.151 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 152.31 45.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 53.32 110.85 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.6 24.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 75.01 112.359 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -33.29 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -79.94 -5.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.02 111.168 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.41 100.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.41 111.127 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.9 19.66 16.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 51.14 112.475 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -130.73 177.72 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 73.41 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.6 123.68 40.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.02 111.19 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.49 108.83 17.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 54.42 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp 59.0 21.84 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 60.25 110.934 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.33 1.35 56.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 43.43 112.525 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.424 ' OE1' HD11 ' A' ' 37' ' ' LEU . 6.6 mp0 -97.08 135.66 38.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 75.14 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -73.28 119.08 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.37 163.35 52.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.54 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -154.71 136.53 14.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 74.52 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.544 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.17 -26.17 66.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 62.12 111.137 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 t -162.44 153.39 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.179 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.949 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -64.7 -15.41 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 60.04 110.879 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 12.4 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 44.54 111.097 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -113.64 -19.92 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.881 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.43 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -84.55 133.24 44.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.13 111.173 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.77 -42.07 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.236 . . . . 71.05 112.387 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -65.07 143.8 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -101.71 127.14 48.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.802 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.3 p -80.17 144.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -30.2 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttp -139.72 118.76 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.546 HG22 HG11 ' A' ' 71' ' ' VAL . 87.9 t -100.4 123.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 61.34 111.104 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 16' ' ' ILE . 24.7 m-20 -106.0 141.06 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.867 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.3 t -122.06 116.61 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.738 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 32.0 m-85 -119.69 -9.81 9.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 60.32 110.858 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -51.66 -64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 64.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -176.17 176.84 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 p -66.92 -55.76 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.855 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -57.05 -27.8 62.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.854 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.56 -34.56 72.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.081 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.4 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -68.49 -53.45 23.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.5 110.93 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.97 -33.01 84.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 64.32 112.515 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 82' ' ' ALA . 86.0 t -79.36 -36.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 71.24 111.144 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -61.97 -49.17 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 51.2 111.107 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.89 -43.36 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.878 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.76 -47.34 83.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -59.19 -50.23 74.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.11 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.71 -28.02 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.083 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.78 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.4 111.066 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.949 HD13 HD12 ' A' ' 64' ' ' LEU . 48.8 pt -72.47 -25.54 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.157 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.89 52.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 71.11 112.447 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.27 -176.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 63.21 111.089 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -134.51 -41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.867 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 158.23 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.144 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.622 HD23 HG23 ' A' ' 120' ' ' VAL . 7.3 tp -139.91 134.08 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.497 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -130.92 138.09 49.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.924 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.699 HD12 ' CB ' ' A' ' 122' ' ' MET . 29.6 mt -115.48 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -83.93 145.17 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -70.61 132.53 45.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 50.52 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.39 -20.21 50.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 63.43 112.465 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.13 146.55 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 62.53 111.118 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.1 mt -131.86 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.143 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.59 95.66 4.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.05 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.55 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -67.91 -49.04 64.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.33 -25.32 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.11 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -70.51 -52.14 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 65.53 111.111 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.41 -32.88 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.115 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 22.0 tp -54.66 -27.81 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -35.09 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.15 111.04 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.78 80.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.21 110.85 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.74 -26.66 46.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.12 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.53 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.7 -11.72 32.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.523 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.639 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.62 150.42 3.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 74.32 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -88.21 99.88 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 52.14 110.866 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -92.7 133.53 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.108 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.497 HG11 ' CH2' ' A' ' 99' ' ' TRP . 35.6 t -139.11 105.87 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.125 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.699 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -108.48 -178.21 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.2 t0 52.07 35.37 16.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.874 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -151.63 135.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.11 110.922 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.7 t -132.93 129.01 20.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 72.53 110.884 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -14.56 36.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.286 . . . . 64.44 112.331 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.93 91.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.02 111.11 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mt . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.2 111.157 179.968 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 9' ' ' ILE . 8.1 pt . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.85 0.357 . . . . 74.15 111.128 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.473 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -35.47 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 50.44 111.116 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.566 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -31.53 54.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.497 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.1 mp -75.82 -30.29 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 71.25 111.157 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.26 -28.06 25.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.933 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.566 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -86.42 -22.32 26.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -88.7 -68.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -128.34 113.76 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.34 111.111 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -92.33 104.27 16.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 64.1 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -139.25 143.42 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.35 111.139 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.73 138.4 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.171 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -123.66 119.5 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 130.4 36.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.73 126.7 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.97 30.4 38.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.756 . . . . 70.53 112.488 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 108.27 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 71.05 111.064 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -118.34 -169.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.847 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.18 43.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.877 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -109.85 83.5 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 70.51 110.885 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 63.34 112.361 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -100.04 24.06 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.843 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 160.08 61.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 60.3 110.882 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.594 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.73 -16.15 37.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 62.02 112.345 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.23 -26.27 52.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.48 -46.15 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.958 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 6.1 ptp180 -53.35 -32.57 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 77' ' ' PHE . 96.7 t -77.0 -39.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 64.14 111.08 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.0 ttm -55.33 -60.75 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.921 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -64.37 -22.4 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 74.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.21 -47.21 58.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.708 ' CD1' HG21 ' A' ' 16' ' ' ILE . 74.4 mt -70.49 -30.03 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.725 HD12 HD13 ' A' ' 56' ' ' LEU . 11.0 mt -67.67 -46.8 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.893 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -32.42 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.904 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -63.77 -25.32 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 45.52 110.907 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 32.69 3.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.445 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -110.2 167.62 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.954 0.407 . . . . 73.12 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -99.6 88.88 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 54.2 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.519 HG22 HD21 ' A' ' 37' ' ' LEU . 10.6 m -74.71 145.26 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.127 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -136.32 78.56 44.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 71.52 111.132 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.9 31.68 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 75.41 112.316 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.94 122.26 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.3 111.124 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.37 152.0 45.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.14 110.858 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -8.68 24.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 61.33 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -105.43 -34.44 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.632 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -77.54 -9.79 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.146 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.21 100.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 53.04 111.129 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 17.95 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 63.21 112.502 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.91 177.31 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 74.33 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 108.24 14.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.23 111.113 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 tp -104.69 122.86 46.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 70.02 110.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.725 HD13 HD12 ' A' ' 37' ' ' LEU . 16.8 mt 58.26 24.22 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.902 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.17 -3.22 85.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 41.11 112.496 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -98.48 155.81 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 73.23 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -76.97 140.24 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.632 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -92.16 156.47 23.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.44 112.495 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -145.76 135.79 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.888 0.375 . . . . 74.15 110.945 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.592 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.05 -25.93 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.14 111.082 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 t -169.52 152.77 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.465 HD12 HG12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -59.04 -21.47 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.875 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -17.19 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 42.12 111.094 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.65 -31.62 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.852 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 64' ' ' LEU . 90.4 t -50.02 108.33 0.98 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 64.03 111.109 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -45.24 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 65.43 112.375 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -69.86 123.58 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -69.09 119.12 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 73.52 110.855 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' H ' ' A' ' 73' ' ' MET . 8.5 p -75.5 144.58 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.104 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.21 -24.95 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.886 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.521 ' H ' HG22 ' A' ' 71' ' ' VAL . 23.5 ttp -147.65 126.68 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.17 118.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.6 119.75 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.844 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.82 114.1 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 32' ' ' VAL . 50.0 m-85 -131.76 7.4 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.522 HH21 ' HB1' ' A' ' 82' ' ' ALA . 45.1 mtm180 -56.08 -74.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -152.07 179.99 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.84 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 t -74.96 -54.34 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.863 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.522 ' HB1' HH21 ' A' ' 78' ' ' ARG . . . -62.8 -27.36 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.4 64.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.33 111.11 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -65.97 -53.73 35.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 55.3 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.97 -38.96 66.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 44.33 112.485 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.37 -35.66 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 62.01 111.113 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -56.25 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.2 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -52.76 -43.31 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.6 mt-10 -62.44 -40.07 95.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.93 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 113' ' ' ALA . 7.6 mt -74.8 -24.24 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.129 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.41 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.3 111.107 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.56 -31.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.13 111.133 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.45 51.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 64.23 112.445 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.449 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -63.97 -174.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 44.52 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -126.9 -38.26 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.916 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.26 158.34 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.43 126.11 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -124.27 130.42 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.24 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.653 HD12 ' HB3' ' A' ' 122' ' ' MET . 36.7 mt -109.42 -170.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.926 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -81.41 148.24 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.7 tp -74.62 131.98 41.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 60.11 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.71 -18.02 41.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.481 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.45 136.04 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.12 111.137 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -127.09 111.18 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 53.53 111.126 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 6.6 t-20 -112.65 87.55 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.72 -43.73 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -70.9 -24.42 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.76 -52.15 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 52.53 111.105 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.62 -33.03 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.25 111.143 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.1 tp -55.2 -27.65 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.54 110.919 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.43 -42.27 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 60.5 111.089 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -54.98 -33.59 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -56.24 -25.72 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.88 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.36 -24.09 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.096 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.34 -13.78 25.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 63.3 112.504 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.87 149.78 4.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 53.1 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -90.61 98.76 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.8 p -91.7 123.69 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 53.22 111.137 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.598 HG11 ' CH2' ' A' ' 99' ' ' TRP . 29.8 t -129.62 105.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 65.1 111.128 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.653 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.72 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.889 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t0 52.1 36.81 19.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.873 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.4 mtt-85 -150.36 134.26 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.9 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 14.0 t -129.4 129.29 23.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 70.34 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.87 37.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 63.14 112.357 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.43 96.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.072 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.5 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.1 111.115 -179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.82 0.343 . . . . 72.04 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.27 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 70.02 111.106 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.79 -33.76 45.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.1 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.429 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.3 mp -75.32 -30.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 74.11 111.137 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 -27.46 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 65.01 110.934 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.57 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.6 t -87.03 -20.95 26.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 63.53 111.142 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.1 t -85.72 -66.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.828 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -128.31 137.63 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.145 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.3 103.53 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 64.33 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.508 HG22 HG23 ' A' ' 71' ' ' VAL . 73.1 m -139.69 126.98 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.4 111.14 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.665 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -117.46 139.72 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 61.34 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.43 131.52 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 51.04 111.066 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 45' ' ' PRO . 15.5 tp -102.39 135.19 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.461 HG12 ' HD2' ' A' ' 78' ' ' ARG . 88.6 t -110.43 133.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.112 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.78 45.72 26.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 52.44 112.486 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 108.08 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 32.35 111.094 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m -120.3 -171.26 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.875 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -99.23 46.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 61.23 110.852 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -111.78 78.16 2.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 75.22 110.867 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 1.49 4.36 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 65.15 112.365 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.08 11.36 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.839 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.24 162.0 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 72.2 110.912 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.73 -10.92 29.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.44 112.383 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -27.32 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.855 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.76 -45.98 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.958 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.2 ptp180 -53.31 -34.11 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 73.33 110.828 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 98.9 t -77.42 -37.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.129 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -62.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.883 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -23.15 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.46 -49.9 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 16' ' ' ILE . 78.3 mt -65.51 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.931 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -65.21 -43.5 91.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 70.43 110.916 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.01 -46.16 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -56.82 -25.43 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 62.23 110.933 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 26.64 5.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 74.13 112.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -98.96 -176.25 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 72.03 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.46 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.849 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.549 HG12 ' HD3' ' A' ' 45' ' ' PRO . 23.4 t -113.51 124.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 62.43 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.97 78.0 12.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 61.12 111.088 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.635 ' HB3' HD23 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.76 124.12 10.77 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 70.2 112.362 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.8 t -123.16 122.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.128 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.39 151.94 44.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 72.23 110.858 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -9.8 26.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 74.12 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -106.41 -32.75 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.87 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.55 -8.24 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.05 111.138 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.63 101.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 45.12 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.62 18.81 14.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 71.41 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -135.03 177.65 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.15 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.79 110.96 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 61.51 111.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 113.02 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 30' ' ' TYR . 14.0 mt 58.77 21.93 9.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.931 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.08 -4.08 62.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 20.4 112.537 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -94.66 143.42 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 74.24 110.941 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.52 128.79 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 52.55 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.01 153.19 30.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -145.14 136.31 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 75.42 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.94 -33.51 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.058 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -149.09 154.31 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 43.12 111.154 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 1.032 HD13 HD13 ' A' ' 93' ' ' ILE . 4.4 pp -68.02 -15.32 63.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 63.45 110.951 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.78 7.5 30.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 60.32 111.094 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.27 -20.39 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.852 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 68' ' ' PRO . 61.5 t -66.16 133.09 94.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 73.13 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.76 -42.67 3.21 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.262 . . . . 72.11 112.38 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.31 148.83 24.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.89 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -91.91 128.82 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.787 HG21 ' HB2' ' A' ' 17' ' ' ALA . 9.8 p -74.13 144.34 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 71.44 111.11 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD1' HG23 ' A' ' 9' ' ' ILE . 34.0 t70 -92.19 -27.89 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.876 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.489 ' HE2' HG21 ' A' ' 97' ' ' THR . 40.5 ttm -150.99 125.13 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.1 110.853 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.582 HG22 HG11 ' A' ' 71' ' ' VAL . 43.2 t -104.84 123.4 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 61.01 111.147 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.93 142.9 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.98 118.02 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.12 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 18.6 m-85 -116.5 -18.11 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.924 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HD2' HG12 ' A' ' 19' ' ' VAL . 49.1 mtp180 -51.21 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.92 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -169.74 -177.14 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -68.43 -52.27 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 43.04 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.47 -32.58 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.871 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.07 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 71.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.68 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 65.3 111.076 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . 0.601 ' CE3' HD12 ' A' ' 112' ' ' LEU . 54.3 t-105 -66.98 -54.19 24.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.917 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.47 -34.69 49.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.42 112.505 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.0 -33.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 72.24 111.118 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.66 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 70.41 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.05 -44.12 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.5 mm-40 -59.55 -40.61 87.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.73 -44.21 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 42.43 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.728 HD12 HD22 ' A' ' 112' ' ' LEU . 38.8 mt -62.93 -26.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.1 -48.75 16.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 65.45 111.075 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 1.032 HD13 HD13 ' A' ' 64' ' ' LEU . 28.5 pt -71.02 -31.06 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.31 111.152 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 43.3 112.485 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.61 -177.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 64.22 111.053 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -133.24 -40.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 73' ' ' MET . 0.7 OUTLIER -134.06 158.52 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.3 111.125 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.1 117.32 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 70.23 110.917 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.4 t-105 -114.15 132.62 56.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.908 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 122' ' ' MET . 62.2 mt -106.72 -174.45 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 54.23 110.933 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.58 143.66 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 65.24 110.953 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.84 139.33 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.89 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.29 16.04 68.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 72.11 112.505 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.42 107.74 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 62.3 111.14 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.496 HG23 ' HG3' ' A' ' 122' ' ' MET . 54.4 mt -115.11 126.62 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.14 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 109' ' ' ALA . 5.9 m120 -111.94 96.63 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.42 110.899 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' VAL . 56.4 tt0 -51.96 -37.1 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -50.26 19.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 106' ' ' ASN . . . -55.72 -27.87 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.43 111.144 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -39.21 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -63.42 -46.65 94.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.077 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.728 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.64 -56.16 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -64.21 -32.19 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 65.42 111.056 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -66.34 -34.41 77.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.863 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -47.09 84.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . 0.548 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -79.9 -24.09 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 62.15 111.113 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.67 -2.17 42.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 70.54 112.466 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.687 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.4 tp -51.92 160.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 74.02 110.939 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.36 95.93 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.42 110.818 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.63 127.32 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.468 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -129.59 110.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 44.41 111.165 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.775 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -105.97 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.886 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 t70 51.78 38.57 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -152.64 140.61 20.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.897 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 149.95 74.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 43.45 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.1 22.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 74.1 112.314 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.84 70.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 mm . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.1 111.118 179.969 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 pt . . . . . 0 N--CA 1.457 -0.084 0 CA-C-O 120.866 0.365 . . . . 65.44 111.13 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.79 -36.49 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 111.065 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -34.98 43.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.474 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.2 mp -75.67 -29.83 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 73.35 111.152 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.71 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.909 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.534 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.75 -21.38 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.173 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -84.05 -67.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.822 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.34 144.38 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.54 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 103.61 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.845 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.575 HG22 HG23 ' A' ' 71' ' ' VAL . 98.2 m -139.66 143.46 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 72.01 111.15 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.802 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -126.07 138.52 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.11 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.065 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.4 tp -121.61 135.45 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 62.04 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.73 117.15 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.092 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.41 70.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 54.12 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -107.87 99.72 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 54.11 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m -113.86 -172.11 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 54.3 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.15 41.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.843 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -113.82 87.79 13.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 60.24 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.08 20.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 50.3 112.357 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.06 9.05 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -112.48 154.95 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 74.25 110.858 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.72 -19.57 36.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 74.24 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -22.01 53.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.811 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -87.53 -48.97 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.898 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -32.2 49.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 77' ' ' PHE . 94.2 t -77.07 -36.19 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.154 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 56' ' ' LEU . 8.4 tpt -58.07 -58.58 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.909 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -67.54 -20.97 65.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.86 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.9 -49.13 21.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.97 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 16' ' ' ILE . 35.1 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 71.04 110.872 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.05 -44.2 73.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 55.13 110.947 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.66 -45.41 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.856 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 64.6 mm-40 -56.49 -25.28 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.907 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.48 60.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 51.42 112.486 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.436 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.3 m-85 -141.79 159.51 42.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.378 . . . . 74.54 110.942 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.0 121.42 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.845 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' SD ' ' A' ' 33' ' ' MET . 16.9 t -118.19 147.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 61.24 111.13 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.66 79.23 59.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 53.44 111.141 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.29 40.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 61.43 112.34 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.42 122.26 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.32 111.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.37 152.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.749 . . . . 53.33 110.812 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -11.71 31.36 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.676 2.251 . . . . 73.44 112.392 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -106.32 -32.07 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.853 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.77 HG23 HD23 ' A' ' 55' ' ' LEU . 5.7 p -77.95 -5.26 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.56 96.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.32 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 9.41 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.473 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.68 154.3 43.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 62.51 110.862 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.13 110.79 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.13 111.177 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.25 112.37 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.911 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 33' ' ' MET . 35.6 mt 62.45 24.33 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.906 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.02 66.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 63.23 112.51 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -95.47 125.58 40.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 65.23 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -58.16 136.29 57.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.909 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.96 164.47 29.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 72.12 112.465 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -153.49 136.88 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 71.43 110.944 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.569 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -68.55 -35.75 77.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.22 111.094 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -150.01 149.39 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.138 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.26 -16.51 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 52.32 110.903 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.1 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.41 111.076 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.92 -37.62 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.895 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 41.3 t -50.64 108.63 1.07 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 65.22 111.135 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.7 -41.99 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 52.45 112.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.46 108.94 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -63.57 122.05 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 72.14 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.859 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.9 p -74.79 144.35 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.136 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.77 -25.36 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 70.24 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.522 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -141.45 113.88 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.729 HG22 HG11 ' A' ' 71' ' ' VAL . 59.9 t -95.66 109.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.137 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.521 ' OD1' HG23 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -88.05 133.44 33.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.848 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.7 113.01 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.03 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.688 ' CE2' HG11 ' A' ' 32' ' ' VAL . 49.2 m-85 -119.88 -9.22 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -51.61 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 62.13 110.827 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -165.49 173.98 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.89 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -63.08 -60.08 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.865 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.14 -28.23 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.88 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 45.22 111.11 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.78 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.057 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.59 -54.44 32.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.31 -43.79 97.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.455 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.6 -23.85 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 71.34 111.13 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.27 -57.98 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.25 111.1 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.503 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.3 pt20 -51.84 -39.53 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB3' HD11 ' A' ' 64' ' ' LEU . 7.1 mt-10 -67.5 -44.35 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.842 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.769 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.096 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.66 -29.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.1 -49.09 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.053 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 64' ' ' LEU . 39.8 pt -70.68 -24.95 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.11 54.53 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 74.33 112.493 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.932 ' HB3' HD11 ' A' ' 118' ' ' LEU . . . -63.41 -173.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 63.23 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -135.42 -41.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 158.35 43.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HB3' HG22 ' A' ' 120' ' ' VAL . 18.7 tp -144.83 102.44 3.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 54.44 110.93 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -94.96 143.04 26.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.914 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.812 HD12 ' HB3' ' A' ' 122' ' ' MET . 41.3 mt -119.63 -171.69 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.953 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.68 152.64 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.909 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -77.3 138.57 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.06 -15.42 62.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 64.02 112.468 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.59 151.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 42.05 111.156 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.27 134.79 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.162 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 3.3 m120 -129.05 87.42 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 55.34 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.6 tt0 -68.55 -47.42 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.43 110.873 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 -48.01 73.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.908 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -69.77 -27.95 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 52.44 111.091 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.28 -38.26 65.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.42 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.4 t -69.13 -50.03 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.12 111.097 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 88' ' ' GLN . 20.1 tp -51.27 -32.03 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 72.51 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.82 -50.09 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 35.52 111.146 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -53.04 -42.55 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -62.52 -25.21 67.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.54 -24.3 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.3 111.101 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.97 -15.72 10.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 61.42 112.487 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.932 HD11 ' HB3' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -58.2 157.99 7.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 63.35 110.899 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.5 t -113.11 94.8 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 98' ' ' LEU . 85.0 t -94.05 143.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 72.31 111.139 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.8 t -136.23 120.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.812 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.19 170.9 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.907 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.2 t70 63.67 33.56 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.2 mtm180 -156.14 135.08 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.91 129.13 15.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 74.11 110.873 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -14.53 36.2 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 63.31 112.341 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.75 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.095 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.7 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.151 179.979 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.809 0.338 . . . . 73.11 111.144 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.98 -38.92 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.087 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.559 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.97 -32.93 47.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.54 112.452 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.4 mp -75.24 -31.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 64.22 111.146 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -85.31 -28.41 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 62.53 110.924 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.559 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.2 t -85.57 -21.99 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.44 111.131 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 t -84.36 -66.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 45.21 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -128.43 144.7 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -114.56 103.45 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.914 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 71' ' ' VAL . 86.5 m -139.96 143.65 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.631 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -130.69 133.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.085 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.638 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -122.94 123.55 41.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.42 111.098 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 21' ' ' ALA . 4.9 tp -96.01 126.76 41.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 63.24 110.87 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.452 HG11 HG13 ' A' ' 86' ' ' VAL . 64.8 t -100.83 114.98 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 70.14 111.127 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.54 62.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 62.42 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.822 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -90.22 122.98 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 54.22 111.07 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -134.38 -176.86 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.884 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.19 44.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.819 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.96 83.46 2.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.529 0.68 . . . . 75.13 110.833 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 64.12 112.289 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.21 26.43 6.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -130.94 159.27 72.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 73.12 110.87 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.82 -17.24 37.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 72.03 112.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -28.41 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 65.4 110.85 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -87.61 -44.02 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 73.04 110.899 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -31.72 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.753 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 96.8 t -77.25 -40.54 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 55.11 111.163 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.464 ' HE1' ' HG3' ' A' ' 58' ' ' GLN . 13.6 tpt -54.86 -61.28 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.98 -21.46 66.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.69 -46.74 44.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.877 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' HG21 ' A' ' 16' ' ' ILE . 63.6 mt -64.43 -43.72 93.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 62.02 110.9 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.73 -46.78 88.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.956 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.17 -54.38 36.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.872 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -56.66 -25.18 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 44.14 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.476 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -113.2 164.84 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 74.21 110.893 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.49 115.24 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 73.44 110.839 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.5 OUTLIER -109.8 144.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.15 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.72 81.44 69.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 72.32 111.128 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.87 13.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 71.31 112.322 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.07 121.81 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 62.21 111.169 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.437 ' CB ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -146.73 151.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 71.23 110.875 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.92 33.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 60.21 112.39 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -106.58 -31.41 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.45 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.437 HG12 ' CB ' ' A' ' 47' ' ' SER . 7.7 p -77.88 -8.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.21 111.107 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.85 102.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.15 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.31 17.97 18.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 42.13 112.542 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -126.24 172.29 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 73.14 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.9 113.93 15.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 54.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.57 117.78 31.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 43.23 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.8 mt 61.97 25.29 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.28 -0.91 84.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 62.04 112.461 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 32.2 mm-40 -96.32 138.88 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.55 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.88 143.12 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.03 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.96 164.26 28.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.517 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.623 ' CG ' HG22 ' A' ' 67' ' ' VAL . 17.0 m-85 -152.54 131.86 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 71.34 110.923 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.04 -29.97 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 41.41 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.1 p -148.57 148.68 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 73.3 111.183 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.46 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.892 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . 0.878 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -77.0 -2.7 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.115 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -6.75 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 54.5 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.623 HG22 ' CG ' ' A' ' 61' ' ' TYR . 23.5 t -87.44 131.87 42.72 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 71.4 111.142 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -43.16 2.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 72.24 112.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.28 147.69 40.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 61.24 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -98.25 122.1 41.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' ALA . 8.3 p -77.12 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.3 111.138 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.38 -23.86 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.869 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.423 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 ttp -146.39 119.74 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.445 HG22 HG11 ' A' ' 71' ' ' VAL . 77.7 t -103.57 138.22 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 61.03 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.482 ' OD1' HD12 ' A' ' 18' ' ' LEU . 2.3 p30 -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.821 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 100' ' ' LEU . 21.6 t -131.87 101.43 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.11 111.105 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.753 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 46.8 m-85 -114.97 -5.13 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -51.86 -68.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -163.82 167.95 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.5 p -62.4 -58.19 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.59 -25.33 68.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.864 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -64.45 -24.66 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 75.04 111.082 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.86 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.24 111.113 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -66.66 -54.48 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.05 110.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.51 -34.24 74.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.734 . . . . 65.14 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.452 HG13 HG11 ' A' ' 19' ' ' VAL . 90.4 t -83.09 -21.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 70.23 111.122 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.571 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -74.08 -44.67 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -60.91 -43.44 98.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 63.45 110.939 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.423 ' OE2' HG13 ' A' ' 86' ' ' VAL . 16.9 pt-20 -67.47 -40.91 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.8 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.31 111.126 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.46 ' CG1' HD22 ' A' ' 118' ' ' LEU . 25.0 mt -69.78 -35.67 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.03 111.108 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.39 -47.06 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.082 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.878 HG22 ' HB2' ' A' ' 65' ' ' ALA . 47.3 pt -70.63 -24.69 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 70.5 111.162 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.84 59.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.483 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.672 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -75.39 -177.85 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 52.05 111.088 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -130.95 -41.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.916 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.94 158.18 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 64.13 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 tp -141.19 109.26 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 32.14 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.58 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.3 t-105 -105.58 139.87 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.868 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 76' ' ' VAL . 57.0 mt -116.35 -173.78 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.01 110.89 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.661 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.1 mm-40 -82.97 163.94 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 51.43 110.921 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.904 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.66 19.1 28.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 75.01 112.54 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.93 147.94 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 64.42 111.104 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 38.9 mt -142.92 107.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.116 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.12 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.8 tt0 -53.23 -39.74 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.895 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.28 94.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.873 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.85 -34.41 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.111 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.503 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -67.91 -33.38 74.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 52.31 111.073 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.3 t -77.49 -40.89 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 87' ' ' ALA . 32.6 tp -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.24 110.928 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -75.89 -34.96 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 65.15 111.074 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.78 -41.04 83.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.898 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -54.1 -28.3 38.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.69 -24.23 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 61.02 111.066 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.58 -12.59 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 72.52 112.525 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.672 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.1 tp -51.55 145.64 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 74.25 110.894 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -87.26 99.54 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.5 p -91.66 132.96 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 71.24 111.102 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.58 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.4 t -134.43 111.33 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.158 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptp -110.09 176.61 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 t70 51.83 37.81 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -145.97 139.33 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.92 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.7 t -131.47 129.01 22.09 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 50.12 110.889 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -21.8 32.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.298 . . . . 73.01 112.304 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.91 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 51.53 111.111 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.4 mt . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.102 179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.463 HG23 ' OG ' ' A' ' 119' ' ' SER . 10.2 pt . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.862 0.363 . . . . 72.25 111.112 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.72 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.121 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.3 -32.28 48.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 50.41 112.501 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.464 HG22 ' OD2' ' A' ' 72' ' ' ASP . 3.8 mp -75.52 -36.59 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 70.51 111.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.2 pp -78.74 -34.5 45.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 60.32 110.91 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -77.57 -27.65 51.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.158 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -79.26 -63.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.46 144.49 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 61.21 111.098 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -119.16 103.87 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.839 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.0 m -139.52 143.28 37.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.121 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.23 132.24 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.131 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -120.61 133.33 55.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.53 111.091 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.8 tp -104.73 135.29 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 53.31 110.922 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 t -106.98 137.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.44 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.22 56.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 70.14 112.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -73.3 110.82 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 63.13 111.083 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t -123.49 -169.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.88 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.82 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.909 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -109.7 84.03 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 72.25 110.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 73.43 112.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.53 20.85 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.92 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -120.42 159.37 48.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 71.32 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.9 Cg_endo -69.77 -21.17 33.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 74.43 112.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -26.78 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 62.21 110.879 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.8 -46.11 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 63.52 110.95 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 26.5 ptt180 -53.57 -35.86 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 65.32 110.884 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 77' ' ' PHE . 34.7 m -77.29 -30.03 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.14 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.462 ' HG3' HD22 ' A' ' 18' ' ' LEU . 7.0 ttm -61.4 -57.87 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.867 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -70.25 -23.26 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -74.37 -47.16 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.934 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.6 mt -68.34 -34.53 76.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' HG21 ' A' ' 43' ' ' VAL . 17.8 mt -67.35 -46.13 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.948 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -52.01 56.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.52 -24.94 49.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.911 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.09 59.02 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 62.11 112.509 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -121.23 176.92 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 72.33 110.906 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -100.33 107.25 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.79 HG12 ' HD3' ' A' ' 45' ' ' PRO . 46.7 t -106.38 134.17 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.3 mt -128.87 76.54 78.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.606 0.717 . . . . 65.41 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.79 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.76 130.67 19.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 63.1 112.341 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.71 122.04 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 45.31 111.174 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.47 152.4 45.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.701 0.763 . . . . 71.13 110.858 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.66 29.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 42.01 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -105.07 -33.83 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.44 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.51 -10.18 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 64.01 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.584 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.26 102.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 53.32 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.9 16.46 19.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 64.34 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -134.56 171.3 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 74.34 110.864 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.71 112.82 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.01 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.43 115.53 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.1 mt 57.23 26.0 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 65.14 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.81 7.58 68.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 65.41 112.504 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -105.63 133.33 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -61.74 142.12 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 30.43 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.49 155.93 21.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 74.14 112.504 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -149.48 134.19 17.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 65.31 110.873 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.9 -30.36 69.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 43.13 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 t -162.91 152.45 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.176 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.903 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -62.21 -17.54 58.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 54.14 110.922 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.85 -15.98 63.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 60.11 111.113 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -37.89 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 108.35 0.99 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 72.51 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.77 4.89 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.699 2.266 . . . . 65.31 112.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.69 131.09 41.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 127.6 33.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.938 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.5 p -82.31 144.3 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 70.24 111.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . 0.464 ' OD2' HG22 ' A' ' 9' ' ' ILE . 4.5 t70 -80.03 -43.7 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.872 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.8 ttp -146.4 129.4 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.834 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.457 HG22 HG11 ' A' ' 71' ' ' VAL . 81.1 t -97.96 108.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.05 111.143 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -80.8 126.24 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.1 t -111.32 117.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.112 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.746 ' CE1' HG11 ' A' ' 32' ' ' VAL . 98.2 m-85 -116.9 -15.09 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.86 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -51.56 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -176.04 -179.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.902 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t -72.73 -45.88 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.815 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.99 -38.5 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -75.66 -24.92 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.085 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 80' ' ' SER . . . -54.44 -43.33 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.092 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -64.01 -53.69 46.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 74.1 110.882 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.06 -43.17 97.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.53 112.447 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 82' ' ' ALA . 48.9 t -72.09 -26.07 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.42 111.115 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.24 -55.48 13.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.114 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.628 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -56.23 -43.38 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.943 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.51 -45.33 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.73 -50.08 70.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.111 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.31 -36.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.47 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.033 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.903 HD13 HD12 ' A' ' 64' ' ' LEU . 46.9 pt -71.02 -24.47 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.086 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.0 56.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 73.35 112.462 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -65.61 175.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 72.53 111.077 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -116.68 -28.47 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -161.12 158.08 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.03 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 120' ' ' VAL . 5.0 tp -138.65 134.06 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 64.2 110.96 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -131.08 138.61 49.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.692 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.2 mt -115.74 -167.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.922 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.703 ' O ' HG12 ' A' ' 104' ' ' VAL . 6.1 tp60 -85.33 155.46 21.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.55 110.965 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.8 tp -79.36 131.79 36.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 73.2 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.13 55.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 74.42 112.471 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.9 p -91.74 148.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 73.4 111.166 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.81 103.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 55.04 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -116.42 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.713 ' O ' HG23 ' A' ' 111' ' ' VAL . 35.0 tp10 -51.94 -35.9 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.922 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -47.46 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.948 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.1 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.488 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -71.25 -32.09 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 62.52 111.1 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 107' ' ' GLU . 20.9 t -78.54 -39.4 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.24 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' A' ' 88' ' ' GLN . 33.3 tp -55.99 -45.6 78.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.4 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 61.33 111.106 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -69.17 -26.73 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -61.04 -35.16 76.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 62.2 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.5 -23.87 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 55.55 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.65 -5.84 27.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 32.52 112.509 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.86 156.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 64.43 110.896 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.463 ' OG ' HG23 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.56 94.7 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.869 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.587 HG23 HD23 ' A' ' 98' ' ' LEU . 14.9 p -100.55 132.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.54 111.152 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.88 105.86 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.12 111.107 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.692 ' CB ' HD12 ' A' ' 100' ' ' LEU . 1.6 ptt? -104.15 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.854 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 51.73 34.4 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.907 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.2 mmm180 -150.44 135.89 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 102' ' ' LEU . 23.7 t -127.34 129.71 23.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.619 0.723 . . . . 65.13 110.862 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -21.42 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 73.33 112.363 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.36 74.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.141 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.0 mt . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 64.5 111.129 179.985 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.842 0.353 . . . . 63.0 111.141 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.82 -39.81 68.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.23 111.128 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.31 -32.17 52.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 55.14 112.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.27 -29.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 73.11 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.19 -28.05 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.53 110.91 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -87.44 -20.37 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.5 111.139 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -87.15 -67.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 64.05 110.857 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 128.38 44.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 61.21 111.144 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -103.7 104.25 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -139.17 130.02 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 64.02 111.141 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 1.093 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -112.33 128.28 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 52.41 111.107 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . . . -106.65 151.52 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 62.41 111.105 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 45' ' ' PRO . 2.1 tp -131.71 127.34 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.674 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.9 t -104.79 126.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.45 111.153 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 63.9 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 73.14 112.538 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.73 107.24 18.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 71.42 111.082 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -123.46 -175.32 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 70.24 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -99.51 47.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.872 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -110.61 84.47 4.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 73.44 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 72.24 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.48 24.78 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.896 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -132.69 159.18 73.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 71.32 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.74 -16.42 37.64 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 73.13 112.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -29.08 55.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 54.33 110.834 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -87.8 -44.32 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.885 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 7.0 ptm180 -53.79 -32.5 52.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 63.11 110.869 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 28' ' ' PRO . 89.5 t -77.21 -40.18 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.23 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.3 ttm -55.3 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.856 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -64.94 -22.35 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.11 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.94 -51.49 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 1.093 HD13 HG21 ' A' ' 16' ' ' ILE . 42.5 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.01 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HG ' HG21 ' A' ' 43' ' ' VAL . 16.2 mt -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.926 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -76.76 -42.37 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.12 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.75 -24.88 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 60.15 110.942 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.37 44.54 1.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 51.42 112.497 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . 0.563 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.1 m-85 -119.82 167.36 12.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 74.24 110.919 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.02 117.67 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 64.43 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.759 HG12 ' HD3' ' A' ' 45' ' ' PRO . 87.4 t -110.66 132.52 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.11 111.101 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.3 79.57 70.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 70.52 111.098 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.759 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 134.75 28.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 74.23 112.31 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.56 121.97 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 72.11 111.181 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 152.09 43.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 74.34 110.899 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.42 36.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 75.54 112.364 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -106.49 -29.92 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.53 -6.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.123 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.86 7.68 21.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.481 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -139.82 163.34 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.22 110.9 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.42 122.53 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.169 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 2.9 mt -109.63 122.5 47.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.94 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.644 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.5 mt 58.72 21.78 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.946 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.14 69.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 64.25 112.466 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.72 137.53 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 55.03 110.909 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -72.19 132.39 44.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.869 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.21 159.95 36.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.464 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -148.79 135.39 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 73.13 110.913 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.568 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.16 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 71.3 111.066 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 t -166.86 156.71 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.159 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -24.39 67.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 54.31 110.917 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.5 2.71 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.14 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -101.44 -21.1 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.869 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.5 p -99.06 133.16 22.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 40.33 111.136 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.6 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 74.13 112.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.65 151.21 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -101.93 144.95 29.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.873 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 17' ' ' ALA . 88.7 t -98.86 143.84 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 44.42 111.17 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -108.02 -39.56 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 ttp -132.06 112.02 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 61.02 110.884 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.579 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 46.3 t -89.05 108.64 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 64.52 111.094 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -89.65 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.794 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 HG11 ' A' ' 86' ' ' VAL . 15.3 t -104.52 107.45 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.34 111.131 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -125.3 -2.31 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.899 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -48.17 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 73.41 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -150.93 175.21 12.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -73.94 -60.03 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 52.35 110.904 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -60.32 -25.52 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 55.44 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.28 -28.12 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.47 -30.23 19.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.106 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -71.32 -53.32 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.11 110.934 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.18 -29.9 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 62.34 112.549 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 19' ' ' VAL . 21.2 t -82.82 -37.28 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 74.53 111.121 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.6 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.066 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.78 -42.88 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.43 -44.48 87.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.865 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -37.65 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 61.02 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 118' ' ' LEU . 9.9 mt -75.29 -25.42 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 111.098 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.66 -51.59 48.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.067 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.76 -31.19 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.05 111.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.41 52.9 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 72.32 112.463 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.31 171.23 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.31 111.128 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -117.49 -28.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 72.12 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.93 158.78 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 45.42 111.175 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 74' ' ' VAL . 15.6 tp -137.72 102.25 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.912 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.552 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.3 t-105 -99.64 133.76 43.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.909 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.811 HD12 ' HB3' ' A' ' 122' ' ' MET . 53.9 mt -108.22 -174.14 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -84.66 144.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.943 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 125' ' ' CYS . 4.5 tp -55.49 141.14 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.927 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.2 16.03 68.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 71.42 112.44 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.83 122.5 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 64.24 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 122' ' ' MET . 46.9 mt -125.07 132.84 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.081 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.93 106.06 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 54.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.75 -37.61 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.941 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -49.11 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.01 -24.19 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.11 111.071 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -65.31 -51.28 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.42 111.117 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -73.51 -33.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.54 -28.95 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.57 -39.72 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 30.43 111.129 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.2 -39.3 59.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.79 -30.65 45.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -24.36 14.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 43.23 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.75 31.32 5.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 75.24 112.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -87.42 151.21 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 64.15 110.913 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 m -87.96 100.64 13.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 99.8 t -91.29 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.17 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.552 HG11 ' CH2' ' A' ' 99' ' ' TRP . 44.0 t -140.67 116.42 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 71.44 111.141 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.811 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.97 173.19 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.884 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.17 31.16 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.429 ' CA ' HD12 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -149.59 139.12 21.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 70.42 110.848 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . 0.782 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -133.43 149.2 71.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.708 . . . . 62.35 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -29.83 22.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 55.15 112.341 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.43 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.33 111.075 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 mm . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 63.54 111.097 -179.959 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 pt . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.829 0.347 . . . . 64.54 111.138 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.445 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -37.06 65.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.09 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.56 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.69 -34.13 44.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.455 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.0 mp -75.48 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.857 0.36 . . . . 74.25 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.31 -27.12 26.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.911 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.56 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.8 t -87.86 -20.9 25.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -85.92 -67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 51.55 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.89 135.35 49.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -110.42 103.92 12.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.885 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 71' ' ' VAL . 90.8 m -139.41 143.62 37.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 65.3 111.139 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -128.15 137.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.097 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -125.25 140.43 52.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.102 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 21' ' ' ALA . 3.2 tt -116.16 134.8 54.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 t -106.78 124.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.12 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 51.2 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.803 -0.713 . . . . 54.32 112.497 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.22 112.08 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.22 111.122 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -128.12 -169.19 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -92.91 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.845 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -108.71 87.67 4.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.568 0.699 . . . . 73.04 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.48 21.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 74.05 112.323 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -99.42 17.51 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 53.45 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.79 156.44 44.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 70.42 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.452 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.5 Cg_endo -69.79 -23.17 30.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 71.13 112.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -19.07 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 45.11 110.88 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.3 -46.58 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.919 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 5.0 ptp180 -53.55 -39.43 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 34.1 t -77.24 -31.19 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' HG11 ' A' ' 43' ' ' VAL . 14.6 tpt -59.0 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.87 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.49 -20.64 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 6.9 t80 -75.07 -47.77 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.925 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 16' ' ' ILE . 53.1 mt -64.21 -40.87 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 71.21 110.911 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 43' ' ' VAL . 50.9 mt -66.62 -41.82 87.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.918 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -51.15 63.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.74 -25.1 53.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.891 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 51.59 1.37 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 71.42 112.535 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -117.08 172.89 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.23 110.903 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.04 109.05 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 65.51 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.49 HG11 ' SD ' ' A' ' 33' ' ' MET . 19.6 t -109.41 144.58 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.154 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -134.25 78.13 58.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 75.44 111.126 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.76 134.26 27.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.612 2.208 . . . . 62.42 112.369 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.1 122.27 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 65.21 111.168 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 75.41 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -13.94 35.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.65 2.234 . . . . 74.34 112.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -106.03 -30.65 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.15 -3.77 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 70.43 111.145 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -64.93 95.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.24 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.24 11.38 7.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 70.41 112.499 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -142.95 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 74.1 110.888 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.17 113.53 26.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 63.45 111.144 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.76 116.62 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.22 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 33' ' ' MET . 17.7 mt 58.27 22.76 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.83 -9.8 66.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.489 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -94.72 131.42 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 75.54 110.87 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.21 135.49 57.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 62.42 110.939 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.86 166.78 31.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 72.14 112.49 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -154.24 137.2 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 73.11 110.929 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.571 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -64.6 -24.44 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 42.1 111.117 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -166.75 153.43 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 93' ' ' ILE . 3.9 pp -61.95 -17.87 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 53.1 110.96 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.46 4.03 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 60.44 111.09 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.19 -23.2 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.433 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -94.07 133.05 28.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 54.02 111.164 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.74 -42.21 3.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 75.23 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -59.65 151.12 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.919 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -111.73 133.56 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -84.27 144.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 53.33 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.55 -24.32 19.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.859 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' MET . . . . . 0.568 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -144.22 117.26 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 62.04 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 71' ' ' VAL . 58.3 t -94.92 111.0 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.149 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -90.81 114.35 26.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.62 114.92 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.14 111.107 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 25.6 m-85 -119.31 -9.94 9.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.4 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -51.48 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 73.34 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -168.98 -175.78 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 71.04 110.909 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -74.95 -53.15 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -53.53 -36.01 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.8 -28.54 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 25.31 111.061 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.09 63.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 54.14 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -66.57 -54.35 24.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.946 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.18 -40.33 93.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.442 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 82' ' ' ALA . 90.8 t -74.34 -33.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 63.34 111.163 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ALA . . . . . 0.461 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -60.89 -57.41 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.52 111.085 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.02 -44.79 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.916 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.51 -43.97 97.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 53.31 111.098 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -75.0 -23.15 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.197 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.39 -51.44 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 63.43 111.096 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 64' ' ' LEU . 2.4 pp -71.66 -27.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.131 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.15 51.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 75.1 112.518 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 71.12 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -127.41 -38.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 9' ' ' ILE . 1.5 m -148.04 158.37 44.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.113 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 HG23 ' A' ' 120' ' ' VAL . 8.1 tp -136.64 130.98 33.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.94 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TRP . . . . . 0.622 ' CH2' HG11 ' A' ' 121' ' ' VAL . 6.4 t-105 -128.74 133.87 48.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.905 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 122' ' ' MET . 22.1 mt -111.15 -168.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 75.24 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLN . . . . . 0.706 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.5 mm-40 -86.6 158.04 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.899 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.34 131.74 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.852 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.45 -13.14 56.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 42.22 112.471 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.2 p -93.82 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.14 111.134 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.0 mt -142.96 111.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -125.62 87.76 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.894 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.91 -28.4 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 62.32 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.1 -50.14 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.7 -23.58 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.101 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.73 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.65 -52.17 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.04 111.131 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.77 -32.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 87' ' ' ALA . 25.0 tp -52.68 -28.76 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.3 110.891 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.42 -32.52 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.112 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -61.43 -39.67 91.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 62.42 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.84 -31.49 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.49 -24.12 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 61.42 111.084 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.51 -12.07 39.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 62.4 112.46 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LEU . . . . . 0.467 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 3.0 tp -51.77 148.8 5.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 72.43 110.912 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 m -86.39 98.73 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.51 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' VAL . . . . . 0.73 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -91.95 125.57 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.622 HG11 ' CH2' ' A' ' 99' ' ' TRP . 42.9 t -128.96 109.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 73.43 111.117 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' MET . . . . . 0.622 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -115.22 179.6 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 60.35 110.841 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 t0 51.86 38.08 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.53 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.6 mtt-85 -151.97 136.27 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.6 t -108.75 129.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 71.05 110.889 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.93 35.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 64.25 112.333 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.36 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.194 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 92.6 mtp . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.79 0.328 . . . . 75.23 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.36 41.96 1.09 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.34 110.876 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -82.38 121.41 26.68 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 75.54 110.858 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 61.6 m-80 -110.06 71.68 0.77 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.13 -0.486 . . . . 64.14 110.874 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -144.2 172.38 12.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.192 -0.458 . . . . 53.41 110.875 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.1 pt -52.16 -27.59 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.465 . . . . 51.4 111.108 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.51 -39.11 70.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 61.21 111.072 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.52 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.13 -31.59 51.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.711 -0.757 . . . . 44.52 112.477 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.2 mp -75.28 -37.1 38.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.87 0.367 . . . . 73.55 111.182 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.5 pp -78.75 -35.25 44.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.14 110.925 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.52 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -76.18 -27.74 57.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.455 . . . . 71.44 111.15 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.4 t -82.25 -63.61 1.34 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 64.24 110.81 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.0 m -128.34 124.26 36.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 54.13 111.117 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptt85 -107.24 104.31 13.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 71.14 110.878 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 18.2 m -139.26 118.4 12.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 73.53 111.144 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.881 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -108.45 126.14 65.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.237 -0.438 . . . . 53.13 111.177 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -116.04 127.97 55.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 31.33 111.093 179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -97.4 135.47 39.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 74.22 110.91 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.592 HG21 HG11 ' A' ' 86' ' ' VAL . 24.9 t -105.53 126.45 60.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 64.43 111.108 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.06 43.76 38.83 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.747 -0.74 . . . . 60.04 112.47 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.11 95.94 5.7 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.789 0.328 . . . . 60.31 111.081 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -106.33 -169.1 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 74.34 110.846 -179.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -94.85 44.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.112 -0.495 . . . . 73.11 110.887 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 29.7 mmtt -109.8 83.47 2.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.61 0.719 . . . . 72.2 110.909 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -5.89 17.32 Favored 'Trans proline' 0 C--N 1.342 0.222 0 C-N-CA 122.677 2.251 . . . . 74.22 112.316 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -98.05 22.81 8.89 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 62.25 110.876 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 66.3 mtt-85 -128.09 159.84 64.77 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.56 0.695 . . . . 74.13 110.874 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.426 ' O ' HG22 ' A' ' 32' ' ' VAL . 53.3 Cg_endo -69.78 -19.4 36.07 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.689 2.259 . . . . 50.54 112.316 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.7 m -74.37 -23.84 59.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.251 -0.431 . . . . 73.53 110.821 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -88.6 -48.91 7.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 74.44 110.905 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -54.35 -33.95 60.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.133 -0.485 . . . . 75.02 110.856 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.755 HG21 ' CD2' ' A' ' 77' ' ' PHE . 27.5 m -77.24 -31.08 17.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 74.02 111.089 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 21.4 ttm -65.45 -66.27 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 52.2 110.846 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.68 -24.01 54.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 75.02 110.922 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -68.52 -46.17 70.29 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 60.32 110.904 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.881 HD13 HG21 ' A' ' 16' ' ' ILE . 63.0 mt -70.77 -29.31 65.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.928 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HG21 ' A' ' 43' ' ' VAL . 11.0 mt -69.12 -46.76 66.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 73.22 110.886 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -66.56 -40.16 88.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 62.35 110.893 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 61.6 mm-40 -56.49 -25.35 50.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.0 110.926 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.99 39.7 3.04 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.698 -0.763 . . . . 51.43 112.496 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 68.9 m-85 -118.38 153.99 33.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.955 0.407 . . . . 60.13 110.9 -179.786 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -73.08 104.96 4.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.101 -0.5 . . . . 71.41 110.857 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.804 HG12 ' HD3' ' A' ' 45' ' ' PRO . 50.2 t -101.67 129.88 52.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 70.53 111.122 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.8 mt -127.49 77.35 76.0 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.588 0.709 . . . . 74.54 111.091 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.804 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.83 126.5 13.34 Favored 'Trans proline' 0 N--CA 1.465 -0.158 0 C-N-CA 122.726 2.284 . . . . 64.15 112.346 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -121.87 122.1 65.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.181 -0.463 . . . . 52.23 111.114 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.64 153.42 46.95 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.612 0.72 . . . . 65.14 110.916 -179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 -8.62 24.07 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.719 2.279 . . . . 43.12 112.359 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 tttp -103.77 -32.46 9.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.901 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.8 m -84.31 1.96 4.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 61.53 111.119 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.586 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -57.17 99.39 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 71.21 111.082 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 94.84 18.89 33.12 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.677 -0.773 . . . . 70.03 112.522 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.4 mmmm -127.18 177.56 6.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.834 0.35 . . . . 70.31 110.929 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -115.74 121.02 41.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.44 111.131 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -111.83 105.78 14.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.25 -0.432 . . . . 74.24 110.891 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.7 mt 60.1 26.01 15.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 75.13 110.93 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.77 -10.04 68.5 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.69 -0.766 . . . . 72.52 112.493 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -94.74 131.48 40.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.784 0.326 . . . . 72.53 110.923 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 20.1 tp60 -60.31 136.0 57.9 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 54.25 110.928 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -93.96 158.71 23.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.719 -0.753 . . . . 52.44 112.471 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 30.8 m-85 -147.2 141.79 26.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 70.14 110.937 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.586 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.52 -32.3 72.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 62.03 111.072 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 50.0 p -149.02 154.35 39.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 71.54 111.114 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.832 HD12 HD13 ' A' ' 93' ' ' ILE . 0.5 OUTLIER -64.78 -15.37 61.56 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.45 110.885 179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.43 11.01 25.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.33 111.061 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -110.94 -21.17 12.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 72.03 110.87 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.422 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -81.64 133.09 53.16 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.59 0.709 . . . . 62.51 111.153 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.422 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.81 -42.17 3.58 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.666 2.244 . . . . 71.11 112.338 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 16.2 tt0 -60.1 135.41 57.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 44.02 110.88 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 30.8 pttt -80.67 123.86 28.53 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.125 -0.489 . . . . 61.5 110.912 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 91.7 t -74.05 140.48 17.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 75.24 111.117 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -114.41 -26.38 7.99 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 64.21 110.864 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 25.4 ttp -144.87 113.98 6.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 63.21 110.872 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.589 ' HB ' HD12 ' A' ' 98' ' ' LEU . 65.2 t -90.39 113.92 27.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 74.32 111.112 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -90.65 104.2 16.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.31 110.913 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.543 HG22 HG11 ' A' ' 86' ' ' VAL . 21.7 t -104.17 105.13 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.224 -0.443 . . . . 72.0 111.126 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.755 ' CD2' HG21 ' A' ' 32' ' ' VAL . 26.1 m-85 -122.22 -5.17 8.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.901 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.476 ' HD3' HG12 ' A' ' 19' ' ' VAL . 48.6 mtm180 -52.02 -66.77 0.33 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 74.15 110.861 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -149.48 -178.24 6.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 62.4 110.86 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 61.9 p -74.11 -59.63 2.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.154 -0.475 . . . . 54.55 110.879 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -60.66 -26.29 66.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.135 -0.484 . . . . 43.04 110.892 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.58 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -55.75 -30.46 61.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 74.32 111.103 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.423 ' CB ' HD22 ' A' ' 100' ' ' LEU . . . -58.55 -35.83 72.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.437 . . . . 65.33 111.126 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 22.5 t-105 -67.15 -54.43 21.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.217 -0.447 . . . . 73.54 110.954 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.96 -42.28 98.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.738 -0.744 . . . . 71.34 112.435 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.592 HG11 HG21 ' A' ' 19' ' ' VAL . 48.1 t -71.6 -25.59 24.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.815 0.341 . . . . 50.52 111.114 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.567 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -70.39 -55.89 7.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 72.21 111.089 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -54.1 -44.16 71.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.897 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -61.07 -45.87 92.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 72.11 110.923 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.652 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -50.38 73.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 63.3 111.094 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 18.6 mt -61.95 -26.09 39.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 74.21 111.118 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.04 -50.68 38.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.445 . . . . 71.11 111.128 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.832 HD13 HD12 ' A' ' 64' ' ' LEU . 44.2 pt -71.66 -25.18 24.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.252 -0.431 . . . . 71.25 111.105 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 110.96 54.28 0.53 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.769 -0.729 . . . . 72.12 112.473 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.652 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -68.91 -178.34 1.2 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.854 0.359 . . . . 62.05 111.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.5 mtmt -133.6 -40.75 0.87 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 73.14 110.882 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.4 m -134.01 158.23 44.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.238 -0.437 . . . . 64.42 111.125 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.592 HD23 HG23 ' A' ' 120' ' ' VAL . 9.6 tp -142.7 122.43 13.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 70.21 110.903 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.433 ' CZ3' HG21 ' A' ' 121' ' ' VAL . 2.9 t-105 -118.79 127.54 53.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 72.13 110.892 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.642 HD12 ' HB3' ' A' ' 122' ' ' MET . 12.5 mt -104.86 -169.97 1.69 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.903 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -81.09 142.49 33.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 74.0 110.941 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -76.78 133.39 39.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 42.41 110.913 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.52 -12.72 56.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.704 -0.76 . . . . 73.03 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 16.7 t -106.95 151.94 8.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.855 0.359 . . . . 74.11 111.12 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.7 mp -131.59 117.52 35.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.142 -0.481 . . . . 73.35 111.133 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 17.0 t-20 -125.81 98.58 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 60.21 110.896 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -66.87 -29.59 69.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.889 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -65.16 -49.22 70.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 74.04 110.896 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.15 -27.35 63.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 44.02 111.048 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.657 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -66.1 -51.11 61.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.268 -0.424 . . . . 73.14 111.074 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 2.9 p -73.45 -32.39 36.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 70.34 111.104 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.567 HD23 ' HB3' ' A' ' 87' ' ' ALA . 23.7 tp -52.91 -28.48 23.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 53.35 110.908 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.464 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -39.31 15.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 51.41 111.13 179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -54.94 -36.31 65.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 73.44 110.836 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.2 mm-40 -52.88 -29.21 26.93 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.267 -0.424 . . . . 74.14 110.937 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -106.76 -23.52 12.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 74.31 111.111 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.83 -9.41 37.3 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.739 -0.743 . . . . 74.43 112.476 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.645 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.6 tp -51.92 148.89 5.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.793 0.33 . . . . 74.12 110.949 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.01 98.45 10.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 74.44 110.918 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.657 HG21 ' HA ' ' A' ' 110' ' ' ALA . 10.0 p -91.64 131.19 39.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.43 111.109 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.433 HG21 ' CZ3' ' A' ' 99' ' ' TRP . 22.0 t -132.33 105.95 10.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 61.53 111.073 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.642 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -104.42 168.18 9.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.89 179.86 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 1.5 t70 51.81 40.1 27.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 75.1 110.848 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.565 ' HA ' HD12 ' A' ' 102' ' ' LEU . 15.7 mtt180 -151.07 136.75 17.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 75.4 110.84 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -126.58 149.7 68.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.593 0.711 . . . . 64.15 110.926 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.401 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.8 Cg_endo -69.78 -29.66 23.42 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 61.44 112.363 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.03 -38.28 70.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.098 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.525 HD12 HD22 ' A' ' 102' ' ' LEU . 62.9 mt -98.27 -19.89 5.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.158 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.401 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 36.8 tt0 -75.5 -26.94 58.55 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 61.23 110.893 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.534 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -68.56 -57.59 8.2 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.573 0.702 . . . . 60.2 110.919 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.73 -7.27 20.61 Favored 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.675 2.25 . . . . 72.34 112.39 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.95 -29.74 21.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 73.5 110.893 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 11.5 mt -105.87 -28.67 10.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.17 -0.468 . . . . 51.23 110.927 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.55 30.11 4.19 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 73.43 112.496 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 5.6 mp -107.73 26.02 10.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.806 0.336 . . . . 71.14 110.899 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -87.67 129.58 35.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 51.43 111.085 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 7.8 mtpm? . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.195 -0.457 . . . . 70.32 110.903 179.962 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.1 mpp? . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.879 0.371 . . . . 73.3 110.886 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.34 134.24 20.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.909 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -117.87 49.93 1.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 71.14 110.894 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 56.7 t30 -69.03 -33.49 73.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 62.13 110.86 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -146.48 178.29 8.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 74.11 110.896 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.424 ' HA ' HD13 ' A' ' 9' ' ' ILE . 16.1 pt -52.59 -27.38 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 62.03 111.166 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.57 -35.64 63.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.123 -0.489 . . . . 65.15 111.134 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.528 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.07 -31.69 51.85 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 55.15 112.481 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.2 mp -76.18 -36.53 30.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.866 0.365 . . . . 64.25 111.115 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.9 -31.33 45.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.457 . . . . 74.22 110.935 179.896 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.528 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -81.52 -25.75 35.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 63.23 111.107 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.7 t -81.54 -65.31 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 75.25 110.89 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -128.47 135.42 49.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.24 111.185 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 14.5 ptt85 -110.53 103.5 12.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 63.54 110.87 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.565 HG22 HG23 ' A' ' 71' ' ' VAL . 85.8 m -139.83 143.54 36.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.182 -0.463 . . . . 51.43 111.148 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.866 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -128.43 136.96 58.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 64.13 111.142 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.711 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.65 135.57 53.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 61.34 111.113 179.802 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.63 HD11 ' O ' ' A' ' 29' ' ' SER . 5.7 tt -108.79 135.37 50.12 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.192 -0.458 . . . . 71.41 110.874 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG22 ' HD2' ' A' ' 78' ' ' ARG . 10.4 p -99.33 135.8 33.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.105 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 65.88 60.85 6.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.742 -0.742 . . . . 43.32 112.521 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.491 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -93.68 90.13 6.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.787 0.327 . . . . 72.42 111.093 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.7 m -106.92 -168.69 1.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 52.14 110.89 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.66 43.27 1.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 53.43 110.865 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.9 mmtp -109.68 83.94 2.99 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.582 0.706 . . . . 64.14 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.692 2.261 . . . . 70.41 112.315 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -98.15 23.88 7.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 75.14 110.87 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -128.61 160.49 62.5 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.628 0.728 . . . . 71.24 110.866 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.592 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.75 -14.42 36.1 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.691 2.26 . . . . 71.24 112.344 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.63 ' O ' HD11 ' A' ' 18' ' ' LEU . 3.2 p -77.41 -27.7 52.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 72.22 110.835 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.63 -45.53 10.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.16 -0.473 . . . . 74.32 110.928 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -53.25 -32.82 50.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.128 -0.487 . . . . 73.12 110.892 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.804 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 91.3 t -77.09 -38.8 28.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.467 . . . . 52.13 111.153 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 22.3 ttm -54.77 -57.17 12.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.202 -0.454 . . . . 73.43 110.861 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 ttpp -66.76 -22.04 66.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.227 -0.442 . . . . 63.01 110.882 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.408 ' HE1' HD23 ' A' ' 130' ' ' LEU . 1.8 t80 -73.07 -51.36 18.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.259 -0.428 . . . . 73.3 110.913 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.866 HD13 HG21 ' A' ' 16' ' ' ILE . 80.5 mt -73.28 -25.44 60.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.106 -0.497 . . . . 74.42 110.936 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.9 mt -76.66 -44.16 35.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.213 -0.449 . . . . 71.55 110.92 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -68.83 -40.44 79.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.41 110.839 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.6 mm-40 -56.75 -25.35 54.73 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 72.42 110.909 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.08 38.33 3.37 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.751 -0.738 . . . . 25.31 112.455 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 -116.33 164.83 13.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.881 0.372 . . . . 65.41 110.933 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.4 t60 -82.82 117.3 22.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 70.31 110.907 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.61 HG12 ' HD3' ' A' ' 45' ' ' PRO . 27.3 t -113.67 140.06 35.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 53.14 111.137 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.5 mt -130.83 76.86 76.48 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.621 0.724 . . . . 75.55 111.111 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.61 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.78 126.99 13.95 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.697 2.265 . . . . 74.21 112.312 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -126.01 122.54 62.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.239 -0.437 . . . . 71.22 111.108 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.31 152.44 46.42 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.631 0.729 . . . . 75.1 110.883 -179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.92 24.83 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.672 2.248 . . . . 73.41 112.339 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -106.25 -33.65 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.14 110.881 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.615 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.46 -6.85 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.21 111.124 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.603 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.7 103.5 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 63.15 111.138 179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.48 19.75 21.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.764 -0.732 . . . . 74.11 112.493 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 mmmt -134.31 177.46 7.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.819 0.342 . . . . 74.34 110.881 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.4 114.45 17.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 75.15 111.143 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.6 mt -110.57 117.61 33.99 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.237 -0.438 . . . . 62.22 110.944 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 35.2 mt 62.78 25.64 15.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 65.34 110.906 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.52 -2.56 86.34 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.735 . . . . 73.24 112.484 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 39.6 mm-40 -94.82 143.86 26.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.76 0.314 . . . . 74.32 110.942 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.4 tp60 -72.02 139.53 48.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.942 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.615 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.03 153.44 20.83 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.793 -0.717 . . . . 71.24 112.505 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -147.01 137.99 23.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.853 0.359 . . . . 73.32 110.939 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.603 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.11 -25.4 66.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 73.44 111.111 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 5.1 t -169.56 161.86 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 71.14 111.166 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.804 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.21 -15.68 60.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 72.52 110.882 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.92 11.98 21.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 72.44 111.118 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -113.14 -21.07 11.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 65.41 110.845 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.432 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -88.26 133.08 37.56 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.636 0.731 . . . . 65.13 111.142 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.432 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.69 -42.29 3.61 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.684 2.256 . . . . 74.34 112.37 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -69.88 140.06 53.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 74.13 110.909 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.4 mtmm -95.72 126.11 40.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 75.04 110.88 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.734 HG11 HG22 ' A' ' 74' ' ' VAL . 7.5 p -74.55 144.62 12.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 43.13 111.097 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -94.69 -21.38 18.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 64.03 110.852 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.605 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -145.48 114.73 7.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 55.22 110.888 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.734 HG22 HG11 ' A' ' 71' ' ' VAL . 50.8 t -97.47 112.89 30.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 53.25 111.153 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.4 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.7 m-20 -99.11 115.43 29.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 75.14 110.887 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG13 HG11 ' A' ' 19' ' ' VAL . 93.7 t -97.82 117.31 42.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 75.11 111.15 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.804 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 76.8 m-85 -119.23 -11.14 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.12 -0.491 . . . . 72.32 110.923 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.591 ' HD2' HG22 ' A' ' 19' ' ' VAL . 15.8 mtt180 -51.35 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 61.31 110.898 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -176.23 177.46 1.53 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 72.2 110.868 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 96.9 p -70.74 -53.64 14.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 72.13 110.844 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -55.16 -29.65 58.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 72.44 110.881 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.475 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -74.13 -26.4 60.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 74.24 111.114 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.75 -44.42 63.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 75.42 111.089 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.6 t-105 -65.41 -52.83 50.65 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.244 -0.435 . . . . 72.54 110.949 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.35 -35.47 60.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.733 -0.746 . . . . 60.04 112.464 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 82' ' ' ALA . 97.7 t -78.28 -39.65 24.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.865 0.364 . . . . 74.44 111.143 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.565 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -53.89 -54.27 41.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.155 -0.475 . . . . 70.24 111.119 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.441 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -55.01 -41.04 70.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 61.34 110.873 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' HB3' HD11 ' A' ' 64' ' ' LEU . 11.9 mt-10 -66.3 -45.74 79.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.438 . . . . 74.02 110.89 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.613 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.42 -48.58 81.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.03 111.119 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.5 mt -62.95 -30.98 50.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.454 . . . . 74.14 111.162 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -64.59 -49.81 69.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 71.02 111.106 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.804 HD13 HD12 ' A' ' 64' ' ' LEU . 45.7 pt -74.09 -25.33 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.11 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 103.98 52.13 0.91 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.745 -0.74 . . . . 62.14 112.492 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.613 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -57.9 -179.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.875 0.369 . . . . 73.12 111.091 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.5 mmtt -123.16 -37.34 2.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.915 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.477 HG23 ' HB3' ' A' ' 119' ' ' SER . 1.3 m -148.14 158.57 44.15 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 72.45 111.115 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.7 tp -136.21 132.27 35.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.95 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.551 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -131.38 128.62 39.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 75.34 110.945 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.689 HD12 ' CB ' ' A' ' 122' ' ' MET . 31.6 mt -107.54 -170.54 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 72.44 110.928 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.2 mm-40 -81.83 145.35 30.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.195 -0.457 . . . . 43.32 110.902 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.0 OUTLIER -75.31 128.53 35.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 75.53 110.878 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 108.58 -16.08 34.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.794 -0.717 . . . . 74.52 112.496 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.4 t -104.89 150.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.793 0.33 . . . . 71.23 111.119 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.9 mt -134.6 115.83 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 74.23 111.143 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -112.75 87.4 2.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 75.04 110.889 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.651 ' O ' HG23 ' A' ' 111' ' ' VAL . 43.9 tt0 -53.3 -37.5 62.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 62.33 110.89 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.84 -44.24 81.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.0 110.904 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.57 -26.72 68.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 44.34 111.07 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.412 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -74.87 -32.24 61.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 52.14 111.088 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.651 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -76.68 -41.15 33.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 50.01 111.169 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.565 HD23 ' HB3' ' A' ' 87' ' ' ALA . 19.2 tp -53.61 -60.34 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.04 110.928 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.85 72.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.083 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.0 mtp85 -63.21 -34.46 77.7 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 72.24 110.908 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -60.41 -41.62 94.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 52.43 110.898 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -86.06 -24.19 26.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.12 111.1 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 103.05 -6.1 50.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.78 -0.724 . . . . 72.55 112.488 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.512 HD21 ' HB3' ' A' ' 95' ' ' ALA . 3.3 tp -51.63 156.7 1.28 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.803 0.335 . . . . 73.23 110.905 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.477 ' HB3' HG23 ' A' ' 97' ' ' THR . 0.2 OUTLIER -85.94 95.78 9.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 72.31 110.88 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.412 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -91.58 123.96 43.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 50.31 111.112 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.551 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -133.54 105.77 8.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.172 -0.467 . . . . 74.31 111.152 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.689 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -109.51 179.98 3.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 75.23 110.88 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 16.5 t70 51.91 36.54 18.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.895 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.504 ' HA ' HD12 ' A' ' 102' ' ' LEU . 39.0 mmt180 -151.1 136.38 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.449 . . . . 72.14 110.897 -179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -135.3 130.68 19.27 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-O 121.645 0.736 . . . . 61.3 110.924 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -22.58 31.86 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.239 . . . . 60.25 112.312 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.29 -36.38 81.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 73.04 111.119 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 8.3 mm -98.88 -20.91 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 70.35 111.15 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -75.01 -28.66 60.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 61.14 110.921 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.548 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -67.08 -57.55 10.88 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.601 0.715 . . . . 73.51 110.877 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.6 Cg_endo -69.76 -6.87 19.64 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.64 2.227 . . . . 75.43 112.359 179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.5 ptm180 -51.77 -29.81 20.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.452 . . . . 73.23 110.894 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 18.8 mt -105.68 -30.5 9.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 70.31 110.909 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 104.46 38.57 2.58 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.758 -0.734 . . . . 34.44 112.471 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 58.1 mt -97.76 -25.87 14.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.805 0.336 . . . . 64.42 110.935 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.419 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.82 141.1 17.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 64.53 111.104 179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 31.1 mtpt . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.927 179.981 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 ptt? . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.832 0.348 . . . . 70.41 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 4.1 mmmm -101.39 91.02 4.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.851 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -81.91 135.37 35.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.237 -0.438 . . . . 73.24 110.907 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -93.67 74.05 4.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 74.41 110.883 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.627 ' OD1' ' HB3' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -164.55 169.4 17.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.466 . . . . 73.25 110.844 179.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 14.8 pt -51.79 -27.5 8.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 74.24 111.148 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.627 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . . . -54.86 -39.78 69.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.193 -0.458 . . . . 53.12 111.126 179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.533 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.85 -32.05 51.26 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.741 -0.742 . . . . 72.3 112.5 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.402 HD12 ' N ' ' A' ' 9' ' ' ILE . 4.0 mp -75.51 -31.57 23.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.894 0.378 . . . . 74.42 111.15 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -84.71 -29.62 25.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 63.11 110.924 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.533 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.1 t -82.81 -24.34 33.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 74.43 111.168 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.0 t -81.68 -65.39 1.02 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 62.12 110.852 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.1 m -128.49 144.53 51.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.106 -0.497 . . . . 63.33 111.129 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 58.5 mtm-85 -116.42 102.76 9.8 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 64.41 110.853 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 81.8 m -140.6 143.53 35.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 64.14 111.124 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.821 HG21 HD13 ' A' ' 36' ' ' LEU . 4.8 mp -133.17 120.47 40.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.444 . . . . 73.43 111.14 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.489 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -113.82 122.24 46.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 72.03 111.1 179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.477 HD13 ' N ' ' A' ' 19' ' ' VAL . 0.2 OUTLIER -90.21 127.55 36.15 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 74.21 110.958 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' N ' HD13 ' A' ' 18' ' ' LEU . 69.4 t -98.07 115.5 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 72.24 111.136 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.44 59.72 1.71 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.769 -0.729 . . . . 44.43 112.503 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.46 94.12 8.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.76 0.314 . . . . 72.43 111.144 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -102.69 -169.58 1.68 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 73.31 110.847 -179.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.4 p30 -94.8 44.1 1.1 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.154 -0.476 . . . . 64.32 110.86 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.2 mmtt -109.95 83.46 2.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 71.33 110.879 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -6.34 18.36 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.677 2.252 . . . . 74.4 112.334 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -100.82 23.11 11.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.229 -0.441 . . . . 72.45 110.891 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.7 mtp85 -126.04 161.04 53.97 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.582 0.706 . . . . 61.33 110.86 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -14.81 36.57 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.691 2.261 . . . . 75.04 112.363 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 25.4 p -77.19 -27.49 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 73.13 110.875 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -87.74 -46.12 9.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.122 -0.49 . . . . 71.42 110.938 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.8 -33.34 55.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 75.44 110.869 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.708 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.0 p -77.0 -36.13 24.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.183 -0.462 . . . . 75.44 111.123 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -59.04 -62.32 1.97 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 75.32 110.856 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 tttp -63.24 -22.09 66.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 63.23 110.898 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -70.91 -47.12 60.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 53.21 110.954 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.821 HD13 HG21 ' A' ' 16' ' ' ILE . 95.1 mt -68.4 -34.92 76.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.115 -0.493 . . . . 72.31 110.901 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.555 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.9 mt -67.55 -46.76 71.8 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.33 110.903 179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -53.82 -55.67 24.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 70.2 110.86 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 20.5 mm100 -56.82 -25.45 56.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 65.21 110.921 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.72 60.73 0.84 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.759 -0.734 . . . . 72.14 112.534 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 58.3 m-85 -127.85 155.35 44.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.924 0.392 . . . . 65.01 110.923 -179.767 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -74.16 108.64 7.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.117 -0.492 . . . . 72.43 110.874 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.605 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.6 t -106.87 134.65 47.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.235 -0.439 . . . . 63.44 111.144 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 27.7 mt -129.37 77.91 76.65 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.632 0.729 . . . . 71.12 111.073 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.605 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.74 128.9 16.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.676 2.25 . . . . 61.15 112.341 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -125.18 121.95 61.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 61.03 111.112 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.78 152.53 44.8 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 62.24 110.88 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -10.45 28.59 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.708 2.272 . . . . 55.11 112.362 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 2.8 mmmp? -106.26 -33.46 7.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.2 110.869 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.552 HG21 HD12 ' A' ' 55' ' ' LEU . 9.1 p -77.57 -9.2 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.253 -0.431 . . . . 71.4 111.152 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.31 102.9 0.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 64.13 111.115 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.36 17.38 20.04 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.744 . . . . 44.1 112.497 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -133.85 177.72 7.51 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.881 0.372 . . . . 65.13 110.889 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.42 108.24 12.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.2 -0.454 . . . . 64.33 111.095 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.552 HD12 HG21 ' A' ' 50' ' ' VAL . 4.6 mt -98.1 111.15 23.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 70.0 110.886 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 34.2 mt 62.14 25.22 15.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.41 110.901 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.23 -4.33 77.28 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.782 -0.723 . . . . 73.44 112.494 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.2 mm-40 -94.94 141.39 28.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.724 0.297 . . . . 75.23 110.893 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 28.0 tp60 -66.02 143.76 57.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.239 -0.437 . . . . 73.31 110.882 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -96.91 156.38 20.94 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 73.12 112.488 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -149.98 133.72 16.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.895 0.379 . . . . 75.41 110.91 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 71.52 111.063 179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.0 t -145.47 148.31 33.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.229 -0.442 . . . . 64.55 111.193 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.567 HD12 ' CD1' ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.67 -19.49 65.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.22 -0.445 . . . . 74.34 110.931 179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.45 ' HA ' HG21 ' A' ' 93' ' ' ILE . . . -71.05 -12.75 61.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 44.41 111.113 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -89.14 -31.49 17.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 50.21 110.861 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 40.2 t -50.36 108.52 1.04 Allowed Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.615 0.721 . . . . 62.12 111.099 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -43.35 2.65 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.638 2.225 . . . . 73.23 112.359 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -70.24 110.6 5.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.251 -0.431 . . . . 72.33 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 pttt -52.03 118.91 3.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.469 . . . . 51.34 110.905 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.598 HG11 ' CG2' ' A' ' 74' ' ' VAL . 5.1 p -74.09 148.1 8.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 75.41 111.112 179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -97.61 -32.12 11.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.131 -0.486 . . . . 61.43 110.868 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.0 ttt -151.49 125.9 9.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.454 . . . . 63.23 110.844 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.598 ' CG2' HG11 ' A' ' 71' ' ' VAL . 21.8 t -113.53 131.47 65.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.42 111.135 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -112.34 151.24 29.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 73.32 110.844 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -126.18 119.43 54.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 63.2 111.148 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.708 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 91.8 m-85 -118.8 -10.34 9.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 75.03 110.881 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 19.6 mtp180 -51.61 -72.08 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 75.04 110.865 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -157.34 170.64 21.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 75.53 110.88 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 53.7 p -72.56 -57.47 4.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.454 . . . . 74.05 110.862 -179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 14.5 mm-40 -55.75 -27.46 50.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.477 . . . . 71.35 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.553 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -67.38 -23.6 65.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.489 . . . . 41.14 111.087 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.67 -40.45 60.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.429 . . . . 70.42 111.152 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.707 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.3 t-105 -67.67 -54.4 19.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 74.32 110.926 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.24 -37.9 75.2 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.726 -0.75 . . . . 65.35 112.528 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 82' ' ' ALA . 40.2 t -79.0 -30.96 14.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.849 0.357 . . . . 71.44 111.154 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -60.62 -57.5 12.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 74.31 111.092 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.84 -42.65 62.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 52.33 110.938 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -60.09 -43.93 95.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.873 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.24 -38.31 87.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 72.13 111.093 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.795 HD12 HD22 ' A' ' 112' ' ' LEU . 51.9 mt -70.23 -29.69 40.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.268 -0.424 . . . . 52.0 111.135 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.64 40.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.125 -0.489 . . . . 74.54 111.072 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.567 ' CD1' HD12 ' A' ' 64' ' ' LEU . 26.2 pt -76.32 -30.51 19.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 71.03 111.069 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.73 80.7 1.34 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.751 -0.738 . . . . 31.43 112.482 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -86.89 -169.63 2.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.85 0.357 . . . . 60.21 111.112 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -130.42 -43.93 1.13 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 72.44 110.914 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.69 158.23 44.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.26 -0.427 . . . . 62.22 111.141 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 14.4 tp -138.72 105.85 5.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 64.45 110.919 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.453 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.8 t-105 -103.63 137.94 40.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 73.42 110.923 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.715 HD12 ' HB3' ' A' ' 122' ' ' MET . 52.6 mt -111.17 -179.26 3.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 74.42 110.875 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.3 tp60 -87.13 139.21 30.79 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.5 110.905 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 4.4 mt -51.94 135.84 29.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 73.34 110.936 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 83.23 18.04 65.56 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 42.42 112.518 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 79.1 t -125.43 127.74 72.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.811 0.339 . . . . 73.22 111.118 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 42.9 mm -129.19 115.46 36.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 75.11 111.156 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.601 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 9.6 t-20 -120.72 91.82 3.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 63.41 110.891 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.717 ' O ' HG23 ' A' ' 111' ' ' VAL . 6.5 tt0 -52.01 -36.8 51.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.222 -0.445 . . . . 71.2 110.891 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -67.7 -52.73 34.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 52.11 110.927 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.601 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.54 -25.93 40.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 51.33 111.085 179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.91 -42.7 38.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 43.42 111.074 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.717 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -60.0 -47.63 91.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 50.43 111.129 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.795 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.92 -52.22 51.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.132 -0.485 . . . . 74.43 110.92 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.13 -33.45 76.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 64.3 111.102 179.769 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 8.5 ttm-85 -67.54 -33.65 75.49 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 71.42 110.901 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -62.38 -46.2 89.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 73.31 110.858 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.574 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -82.28 -24.14 34.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.148 -0.478 . . . . 45.33 111.104 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 105.85 -4.69 39.34 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 62.13 112.483 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.714 HD11 ' C ' ' A' ' 95' ' ' ALA . 1.1 tp -51.84 153.82 2.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.844 0.354 . . . . 75.43 110.912 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -91.12 95.85 10.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.887 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.59 130.72 40.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 73.2 111.092 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.453 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.5 t -134.96 112.94 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 74.32 111.12 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.715 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.51 178.53 4.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 64.42 110.892 179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 52.25 30.45 7.91 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 71.52 110.84 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -139.13 161.31 37.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 72.15 110.881 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 25.5 t -156.71 129.46 4.29 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.563 0.697 . . . . 63.31 110.869 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.6 Cg_endo -69.82 -22.9 31.17 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.686 2.258 . . . . 74.05 112.352 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.44 -40.55 87.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 73.24 111.069 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.2 mt -98.77 -18.16 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 74.21 111.128 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 34.8 tt0 -72.1 -31.81 66.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 60.41 110.881 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.3 tp -67.63 -57.57 9.86 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.56 0.695 . . . . 54.34 110.871 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.8 -7.05 20.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.698 2.265 . . . . 73.32 112.306 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.708 ' CG ' HD12 ' A' ' 133' ' ' LEU . 6.7 ptm180 -51.96 -29.67 21.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.252 -0.431 . . . . 75.25 110.837 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.708 HD12 ' CG ' ' A' ' 132' ' ' ARG . 1.8 mp -97.14 -29.49 13.57 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.204 -0.453 . . . . 63.45 110.891 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.36 37.61 5.3 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.762 -0.732 . . . . 64.14 112.478 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 13.2 mt -108.26 -25.87 10.83 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 63.43 110.865 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.529 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.7 146.84 7.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 63.41 111.064 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 39.7 mttt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 63.4 110.901 179.908 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.857 0.36 . . . . 71.03 110.907 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 3.7 mmpt? -115.75 155.29 28.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 75.04 110.899 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -97.43 -26.22 14.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.51 110.896 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.7 m120 -104.91 162.1 13.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 73.41 110.879 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -94.24 -23.85 17.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 63.22 110.87 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 11.8 pt -52.81 -27.49 12.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.454 . . . . 73.1 111.125 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.22 -38.7 68.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 53.34 111.049 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.554 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.91 -33.06 47.29 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.771 -0.728 . . . . 64.42 112.525 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.38 -30.99 23.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.86 0.362 . . . . 73.13 111.112 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.2 -28.02 25.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.31 110.924 179.896 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.554 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.3 t -86.23 -21.6 27.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 75.11 111.159 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 47.1 t -84.91 -66.4 0.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 65.21 110.859 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -128.49 140.4 51.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 74.53 111.103 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 5.4 ptp85 -110.24 103.75 12.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 75.53 110.854 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.56 HG22 HG23 ' A' ' 71' ' ' VAL . 89.1 m -139.56 143.68 37.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 72.43 111.141 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.793 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -129.57 134.84 62.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 74.45 111.165 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.673 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.53 141.48 51.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 70.14 111.093 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.565 HD13 ' CD2' ' A' ' 77' ' ' PHE . 13.7 tp -115.87 135.37 54.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 63.41 110.918 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.517 ' N ' HD12 ' A' ' 18' ' ' LEU . 99.2 t -112.1 106.52 20.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 62.34 111.165 179.805 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 103.07 59.57 0.73 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.76 -0.734 . . . . 63.53 112.535 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.39 135.1 38.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.793 0.33 . . . . 75.51 111.125 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -150.74 -169.51 3.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.238 -0.437 . . . . 54.22 110.857 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -93.54 43.36 1.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.133 -0.485 . . . . 61.43 110.879 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -110.06 83.19 2.85 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.595 0.712 . . . . 65.42 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -6.17 17.95 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.692 2.262 . . . . 74.31 112.343 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 -98.05 24.94 6.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 41.34 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.7 mmm180 -129.1 159.09 70.66 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.62 0.724 . . . . 64.11 110.845 -179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.562 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.81 -16.71 37.48 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.668 2.245 . . . . 74.2 112.381 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -25.52 51.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 72.43 110.88 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.37 -46.99 9.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.109 -0.496 . . . . 74.42 110.922 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 33.2 ptt180 -53.68 -34.64 59.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.089 -0.505 . . . . 74.04 110.866 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.702 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 87.1 t -77.23 -39.42 28.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 71.35 111.095 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttp -54.35 -63.47 1.14 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 61.13 110.885 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.4 tptm -62.34 -20.26 64.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.31 110.879 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -74.97 -49.47 19.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.13 110.892 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.793 HD13 HG21 ' A' ' 16' ' ' ILE . 69.5 mt -70.85 -28.62 64.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.109 -0.496 . . . . 72.33 110.896 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.511 HD21 ' CD ' ' A' ' 58' ' ' GLN . 11.1 mt -72.38 -43.28 64.2 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 74.14 110.917 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 72.2 110.882 179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 26.9 mm-40 -56.85 -25.29 56.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.922 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.43 44.11 1.62 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.734 -0.746 . . . . 53.22 112.473 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.576 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.1 m-85 -125.35 176.33 6.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.892 0.377 . . . . 73.21 110.943 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -101.17 121.93 42.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.32 110.856 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 35.2 t -114.33 131.6 65.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.243 -0.435 . . . . 62.2 111.174 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 46.2 mt -124.91 75.25 66.19 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.639 0.733 . . . . 72.24 111.186 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.74 136.54 33.3 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.711 2.274 . . . . 75.32 112.337 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.2 t -129.83 122.31 54.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 54.34 111.114 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.4 152.53 46.3 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.657 0.741 . . . . 74.34 110.85 -179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -8.7 24.28 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.702 2.268 . . . . 74.32 112.347 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.5 mtmt -106.21 -34.0 7.64 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.244 -0.434 . . . . 72.2 110.944 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.58 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -78.94 -7.75 10.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.459 . . . . 74.02 111.113 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.6 103.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 52.24 111.103 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 99.86 19.03 20.93 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.73 -0.748 . . . . 43.24 112.467 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 29.6 mtmt -134.18 177.63 7.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 54.13 110.926 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.97 117.96 22.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 74.43 111.116 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -108.18 114.67 28.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 63.43 110.889 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 60.5 mt 58.75 25.92 14.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 53.13 110.936 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 90.31 6.4 68.71 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.754 -0.736 . . . . 72.05 112.463 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.511 ' CD ' HD21 ' A' ' 37' ' ' LEU . 43.4 mm-40 -103.21 131.29 50.36 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.773 0.321 . . . . 72.25 110.872 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.5 tp60 -62.18 141.59 58.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.43 110.931 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.58 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.22 154.62 20.18 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.746 -0.74 . . . . 75.41 112.522 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -147.15 137.13 23.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.914 0.387 . . . . 75.23 110.938 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.607 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.54 -31.04 71.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 64.43 111.098 179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.6 t -157.68 151.49 24.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 65.0 111.149 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.484 ' H ' HD23 ' A' ' 64' ' ' LEU . 0.4 OUTLIER -62.46 -18.23 61.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 55.11 110.891 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.57 -18.37 64.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 72.55 111.14 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -94.99 -31.01 13.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 71.24 110.823 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.404 HG23 ' HA ' ' A' ' 64' ' ' LEU . 65.3 t -50.4 108.47 1.03 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.643 0.735 . . . . 64.33 111.112 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -45.39 1.63 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.65 2.233 . . . . 70.54 112.38 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -66.5 118.54 10.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 65.13 110.881 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 47.5 mttt -70.62 116.07 10.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 74.22 110.849 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.673 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -76.58 144.42 11.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.189 -0.459 . . . . 74.24 111.113 179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.91 -24.23 16.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 63.42 110.849 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.516 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -143.45 118.77 10.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 72.14 110.88 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.648 HG22 HG11 ' A' ' 71' ' ' VAL . 23.9 t -103.01 115.58 45.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 73.41 111.111 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.621 ' OD1' HG23 ' A' ' 16' ' ' ILE . 2.0 m-20 -102.32 138.18 39.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.143 -0.481 . . . . 71.2 110.899 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.7 t -114.83 119.02 60.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 75.23 111.156 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.702 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 8.4 m-85 -119.74 -9.02 9.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 71.35 110.869 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 14.9 mtp180 -51.66 -66.44 0.38 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.23 110.884 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -168.15 171.76 9.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.255 -0.43 . . . . 75.33 110.914 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.9 t -68.0 -59.08 3.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 51.0 110.862 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.1 mm-40 -55.82 -28.09 54.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.21 110.907 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.53 -23.63 66.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 72.13 111.089 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.63 -41.58 61.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 63.43 111.136 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.1 t-105 -67.75 -52.97 31.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.22 -0.445 . . . . 74.02 110.914 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -56.16 -38.51 77.33 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.731 -0.747 . . . . 43.23 112.476 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 74.3 t -78.92 -33.69 16.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.857 0.36 . . . . 63.33 111.126 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.51 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.65 -55.48 34.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 71.22 111.093 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.423 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.1 pt20 -52.15 -42.5 63.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 74.34 110.918 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -67.79 -44.56 77.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.208 -0.451 . . . . 74.11 110.858 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.21 -38.72 77.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 50.13 111.104 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 113' ' ' ALA . 21.6 mt -74.92 -23.7 17.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.442 . . . . 73.44 111.105 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.62 -51.42 35.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 52.53 111.11 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.403 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.35 -30.95 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 52.01 111.136 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.01 52.6 0.73 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.811 -0.709 . . . . 65.1 112.509 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.503 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -59.57 177.97 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.833 0.349 . . . . 60.25 111.109 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -117.88 -30.16 5.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.229 -0.441 . . . . 72.12 110.956 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.1 m -152.82 158.1 41.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.179 -0.464 . . . . 71.42 111.127 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 12.6 tp -133.37 114.09 13.31 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.231 -0.441 . . . . 71.33 110.926 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.623 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.9 t-105 -115.68 136.74 52.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.931 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.601 ' HB3' HG11 ' A' ' 104' ' ' VAL . 62.3 mt -112.09 179.04 4.11 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 70.34 110.869 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.501 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.0 mm-40 -85.27 134.4 34.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 72.31 110.913 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.536 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.3 mt -51.88 127.08 20.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 70.22 110.908 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.96 18.21 16.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 50.24 112.463 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.601 HG11 ' HB3' ' A' ' 100' ' ' LEU . 10.0 p -117.97 144.06 27.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 74.45 111.173 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 80.2 mt -142.6 101.36 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 71.32 111.125 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -128.09 87.99 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 55.31 110.904 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.696 ' O ' HG23 ' A' ' 111' ' ' VAL . 36.6 tt0 -51.83 -34.17 39.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 70.1 110.864 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -40.18 94.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 74.45 110.903 -179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.75 -30.74 68.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 72.4 111.116 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.675 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -71.02 -32.98 69.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 72.04 111.087 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -77.98 -43.1 28.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.445 . . . . 42.21 111.172 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.51 HD23 ' HB3' ' A' ' 87' ' ' ALA . 40.0 tp -51.98 -43.85 63.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.482 . . . . 64.53 110.905 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.469 ' HA ' HD11 ' A' ' 91' ' ' ILE . . . -76.35 -29.26 57.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 72.22 111.059 179.809 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.0 tmm_? -70.69 -37.45 73.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.267 -0.424 . . . . 74.01 110.885 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -54.31 -35.65 62.88 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.939 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.23 -24.29 19.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 61.42 111.135 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.44 -10.25 33.11 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.767 -0.73 . . . . 73.11 112.445 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.3 tp -51.75 153.46 2.42 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.802 0.334 . . . . 73.4 110.873 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -88.45 99.91 12.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 64.31 110.877 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.675 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.9 p -91.62 127.56 43.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 63.23 111.128 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.623 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -134.13 109.12 12.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 72.3 111.112 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -106.86 -177.53 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 73.14 110.854 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 p-10 41.86 39.69 1.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 52.51 110.887 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 32.0 mmt180 -142.0 149.96 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.906 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.536 ' HB3' HD12 ' A' ' 102' ' ' LEU . 25.9 t -153.66 129.5 5.26 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.557 0.694 . . . . 60.21 110.887 -179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.408 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.6 Cg_endo -69.76 -22.92 31.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 62.12 112.366 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -56.39 -43.93 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 72.02 111.101 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.2 mt -98.08 -20.66 5.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 54.0 111.142 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.408 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 9.7 tm-20 -79.5 -16.15 56.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.898 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.64 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.2 tp -70.17 -57.75 5.72 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.607 0.718 . . . . 62.41 110.962 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.79 -23.74 30.31 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.673 2.249 . . . . 74.42 112.317 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.675 ' HG3' HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -57.76 -21.62 42.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 73.51 110.877 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.675 HD12 ' HG3' ' A' ' 132' ' ' ARG . 1.2 mp -95.21 -30.64 13.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.157 -0.474 . . . . 73.25 110.886 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.24 39.84 4.15 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.751 -0.738 . . . . 73.51 112.455 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 17.9 mt -116.37 -25.64 7.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.802 0.334 . . . . 74.41 110.915 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.64 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.77 140.26 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 61.3 111.076 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 1.6 mptp? . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 74.14 110.872 179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.5 mmm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.869 0.366 . . . . 65.43 110.896 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -112.07 110.83 21.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 53.11 110.938 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -120.08 72.44 0.94 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.238 -0.437 . . . . 55.43 110.927 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -152.02 -178.92 7.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 63.11 110.861 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -110.15 -75.3 0.63 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 72.43 110.854 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 15.3 pt -51.67 -27.45 8.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 73.54 111.132 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.47 -36.52 64.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 73.42 111.077 179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.522 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.02 -32.08 50.56 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.757 -0.735 . . . . 75.2 112.514 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -76.02 -36.57 31.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.372 . . . . 43.32 111.166 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.9 OUTLIER -78.84 -31.61 45.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.12 -0.491 . . . . 74.32 110.941 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.522 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.1 t -81.15 -25.87 36.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 74.41 111.14 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 42.8 t -81.83 -65.22 1.04 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 65.24 110.837 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.6 m -128.47 134.2 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 62.54 111.153 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.5 mtm180 -108.84 103.38 12.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.21 110.843 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.511 HG22 HG23 ' A' ' 71' ' ' VAL . 75.8 m -139.75 142.07 36.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 61.51 111.176 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.826 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -128.07 136.06 61.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.55 111.095 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.643 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -126.24 143.33 51.19 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 74.32 111.132 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tt -115.74 135.4 54.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 51.33 110.908 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.671 HG21 ' CG1' ' A' ' 86' ' ' VAL . 57.9 t -106.44 119.79 56.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.468 . . . . 64.1 111.128 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 88.83 61.66 1.42 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.701 -0.761 . . . . 70.32 112.48 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 115.76 28.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.331 . . . . 73.22 111.12 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 p -131.23 -176.02 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 64.22 110.869 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -93.38 43.26 1.11 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 54.02 110.887 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.2 mmtm -109.82 83.69 2.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.598 0.713 . . . . 72.21 110.865 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -6.28 18.23 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.702 2.268 . . . . 64.22 112.352 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -96.87 24.49 6.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 65.04 110.887 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 50.1 mtp180 -130.23 160.04 67.53 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.593 0.711 . . . . 72.13 110.898 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -20.44 34.83 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.685 2.257 . . . . 75.31 112.33 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.62 -24.86 60.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 73.41 110.853 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -88.14 -48.91 7.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 62.45 110.968 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 17.8 ptp180 -54.8 -35.05 63.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 63.13 110.823 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.726 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 11.0 p -77.22 -31.95 18.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 53.45 111.111 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.586 ' SD ' HD12 ' A' ' 56' ' ' LEU . 1.7 tmm? -62.77 -65.07 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 62.13 110.89 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 51.0 tttm -60.52 -21.53 62.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.231 -0.441 . . . . 71.31 110.925 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -70.46 -47.36 61.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.22 110.925 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.826 HD13 HG21 ' A' ' 16' ' ' ILE . 80.4 mt -71.53 -28.13 63.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 63.5 110.914 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.553 ' HG ' HG21 ' A' ' 43' ' ' VAL . 10.8 mt -72.38 -46.22 56.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 73.01 110.877 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -66.48 -41.06 89.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.13 110.854 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 37.8 mm-40 -57.07 -25.25 58.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 74.34 110.916 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.56 42.46 2.33 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 75.33 112.529 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.651 ' HB3' HD13 ' A' ' 16' ' ' ILE . 82.7 m-85 -120.11 157.89 28.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.924 0.393 . . . . 53.14 110.904 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.8 m80 -79.23 114.62 18.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 73.43 110.853 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.646 HG12 ' HD3' ' A' ' 45' ' ' PRO . 21.8 t -110.51 133.64 55.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 71.44 111.135 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.8 mt -128.66 77.01 78.12 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.64 0.733 . . . . 73.51 111.144 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.646 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 138.01 36.78 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.687 2.258 . . . . 63.21 112.351 179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.9 t -134.25 122.38 40.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 60.21 111.12 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.46 151.9 44.54 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.655 0.741 . . . . 64.24 110.853 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -9.71 26.79 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.717 2.278 . . . . 74.31 112.319 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? -106.4 -32.76 7.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 74.12 110.91 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.554 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -79.02 -9.21 12.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.217 -0.447 . . . . 72.35 111.118 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.622 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.32 104.28 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 72.14 111.076 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.93 18.79 23.84 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.7 -0.762 . . . . 52.02 112.484 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.4 mmmt -133.02 177.58 7.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.898 0.38 . . . . 74.55 110.896 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -129.96 119.88 23.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.44 . . . . 72.01 111.168 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 5.3 mt -115.76 113.5 23.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 64.43 110.886 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.586 HD12 ' SD ' ' A' ' 33' ' ' MET . 27.2 mt 62.8 27.8 16.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 74.23 110.964 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.01 -0.06 85.89 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.736 -0.745 . . . . 55.33 112.498 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.4 ' CG ' HD11 ' A' ' 37' ' ' LEU . 29.9 mm-40 -95.15 138.42 32.89 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.737 0.303 . . . . 72.45 110.891 -179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.3 tp60 -71.91 141.05 49.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 70.34 110.906 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.554 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -95.77 153.47 20.64 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.733 -0.746 . . . . 44.42 112.509 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -146.07 136.0 23.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.877 0.37 . . . . 55.12 110.889 -179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.622 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -66.18 -25.37 66.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.086 -0.506 . . . . 54.54 111.095 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.2 t -168.05 156.07 8.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.209 -0.45 . . . . 64.02 111.124 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.756 ' HB2' HG21 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -58.99 -25.8 63.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 63.33 110.901 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -81.75 0.5 38.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 72.44 111.151 179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -96.71 -20.07 18.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 71.43 110.896 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.439 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -102.57 133.03 20.72 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.608 0.718 . . . . 70.13 111.17 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.439 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.1 Cg_endo -69.73 -42.27 3.58 Favored 'Trans proline' 0 N--CA 1.465 -0.172 0 C-N-CA 122.694 2.263 . . . . 74.23 112.385 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.0 tp10 -53.19 139.78 28.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.17 -0.468 . . . . 71.14 110.858 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.9 mmtt -102.9 118.87 37.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.098 -0.501 . . . . 74.23 110.902 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.736 HG11 HG22 ' A' ' 74' ' ' VAL . 9.2 p -74.11 142.71 14.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.204 -0.453 . . . . 74.12 111.137 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 5.3 t0 -93.76 -24.18 17.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 75.4 110.905 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.509 ' H ' HG22 ' A' ' 71' ' ' VAL . 24.1 ttm -142.74 113.93 7.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 64.11 110.857 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.736 HG22 HG11 ' A' ' 71' ' ' VAL . 53.0 t -95.86 111.1 25.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.19 -0.459 . . . . 65.22 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.426 ' OD2' HG23 ' A' ' 16' ' ' ILE . 26.2 m-20 -97.99 132.53 43.48 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 73.15 110.885 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.2 t -118.56 125.6 74.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.211 -0.45 . . . . 52.25 111.131 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.726 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 56.6 m-85 -131.07 9.03 4.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 60.2 110.863 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -64.77 -73.91 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.11 110.886 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -161.96 179.19 8.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 71.23 110.861 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -74.32 -60.29 2.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.152 -0.476 . . . . 51.23 110.833 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.65 -25.67 54.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.111 -0.495 . . . . 74.31 110.882 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.524 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -76.94 -23.59 52.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 53.53 111.116 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.45 -38.57 54.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 74.31 111.074 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 52.2 t-105 -68.14 -54.48 17.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.255 -0.429 . . . . 72.54 110.923 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.98 -39.1 67.39 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.726 -0.75 . . . . 71.42 112.476 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.671 ' CG1' HG21 ' A' ' 19' ' ' VAL . 41.1 t -75.0 -33.18 28.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.851 0.358 . . . . 62.03 111.153 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.49 -58.02 10.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.182 -0.463 . . . . 65.12 111.125 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -51.69 -42.59 62.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 73.33 110.938 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.578 ' O ' HG23 ' A' ' 93' ' ' ILE . 19.0 mt-10 -61.8 -38.89 89.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.21 -0.45 . . . . 74.1 110.901 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -73.43 -35.01 65.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.135 -0.484 . . . . 74.22 111.084 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.792 HD12 HD22 ' A' ' 112' ' ' LEU . 51.3 mt -73.85 -29.93 27.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 62.43 111.123 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -75.8 -41.29 53.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.471 . . . . 74.21 111.088 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.756 HG21 ' HB2' ' A' ' 64' ' ' LEU . 35.7 pt -70.62 -24.63 25.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.24 111.123 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 100.64 49.23 1.42 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.731 -0.747 . . . . 64.33 112.442 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.559 ' O ' HD11 ' A' ' 118' ' ' LEU . . . -69.68 -176.68 1.08 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.844 0.354 . . . . 72.33 111.101 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 mmmt -127.84 -37.93 1.9 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 74.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.59 158.46 44.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.25 -0.432 . . . . 73.45 111.168 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.2 tp -140.54 103.79 4.62 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 71.32 110.886 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.542 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.1 t-105 -99.91 137.02 38.95 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 72.52 110.906 179.892 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.591 HD12 ' HB3' ' A' ' 122' ' ' MET . 86.9 mt -112.75 -173.99 2.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 74.25 110.971 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.555 ' HB2' HG21 ' A' ' 104' ' ' VAL . 1.2 mm-40 -86.56 151.88 23.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 72.04 110.916 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.3 mt -61.48 142.8 56.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.22 -0.445 . . . . 72.23 110.897 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 67.82 25.16 74.24 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.757 -0.735 . . . . 74.01 112.504 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 101' ' ' GLN . 40.8 t -122.17 100.82 8.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 64.24 111.1 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 43.4 mt -99.31 109.39 24.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 55.13 111.122 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.5 m120 -113.77 87.39 2.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 73.1 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.706 ' O ' HG23 ' A' ' 111' ' ' VAL . 5.2 tp10 -52.68 -35.71 55.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 71.51 110.928 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -71.26 -52.65 17.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 72.13 110.904 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.07 -25.82 33.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 45.14 111.121 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.427 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -77.19 -34.34 56.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.42 111.129 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 107' ' ' GLU . 23.8 t -69.14 -44.08 81.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 71.25 111.129 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.792 HD22 HD12 ' A' ' 91' ' ' ILE . 0.7 OUTLIER -51.51 -52.18 48.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.925 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -66.1 -29.63 69.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 63.11 111.105 179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.1 tmt_? -74.85 -24.98 58.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.892 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -72.18 -33.38 67.63 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 64.34 110.877 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -97.63 -24.38 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 43.13 111.092 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 108.64 -6.83 33.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.763 -0.732 . . . . 71.35 112.464 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.559 HD11 ' O ' ' A' ' 95' ' ' ALA . 1.8 tp -51.87 164.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.784 0.325 . . . . 53.21 110.964 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.9 m -103.04 95.68 6.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 71.52 110.83 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.427 HG11 ' HA ' ' A' ' 110' ' ' ALA . 6.6 p -91.54 140.43 16.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.484 . . . . 75.21 111.131 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.542 HG11 ' CH2' ' A' ' 99' ' ' TRP . 53.6 t -140.62 108.86 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 61.42 111.112 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.591 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -108.13 175.07 5.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.24 110.919 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 39.8 t0 60.44 31.36 20.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 71.31 110.876 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 19.7 mmm180 -143.83 168.24 20.4 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 44.41 110.877 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -165.07 138.46 3.81 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.653 0.74 . . . . 73.41 110.893 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 -25.3 28.64 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.682 2.254 . . . . 43.13 112.318 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.88 -36.05 78.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 74.3 111.083 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.1 mm -98.54 -21.19 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 65.22 111.132 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -76.24 -27.33 56.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 70.12 110.843 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.619 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.2 tp -67.21 -57.54 10.66 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.631 0.729 . . . . 64.11 110.943 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.548 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.77 -7.43 21.05 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.681 2.254 . . . . 74.1 112.356 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.88 -30.16 22.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 72.13 110.898 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 9.4 mt -111.52 -30.47 7.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.916 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 107.82 30.45 3.99 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.754 -0.736 . . . . 75.12 112.469 179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 24.0 mt -86.2 -24.86 25.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.815 0.34 . . . . 73.33 110.935 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.619 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -53.32 172.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.205 -0.452 . . . . 61.53 111.121 179.783 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 63.45 110.897 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mtt . . . . . 0 C--O 1.232 0.151 0 CA-C-O 120.845 0.355 . . . . 72.23 110.902 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.23 138.78 57.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 60.22 110.904 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -113.84 -26.37 8.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 72.23 110.868 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -80.84 150.33 29.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 71.32 110.89 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 36.7 m-20 -102.85 -23.47 13.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.862 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 16.8 pt -52.44 -27.61 11.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 75.23 111.157 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.94 -39.37 68.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 53.12 111.115 179.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.569 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.42 -32.95 49.84 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.708 -0.758 . . . . 64.1 112.509 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.5 mp -75.39 -30.41 22.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.864 0.364 . . . . 62.31 111.158 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.12 -27.38 26.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 74.24 110.926 179.878 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.569 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -87.71 -20.71 25.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.435 . . . . 72.23 111.131 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.2 t -85.42 -67.02 0.83 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.221 -0.445 . . . . 72.05 110.872 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.728 HG23 ' OD2' ' A' ' 72' ' ' ASP . 1.7 t -128.54 132.15 48.26 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.078 -0.51 . . . . 75.0 111.151 -179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 79.0 mtt180 -109.01 104.02 13.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.233 -0.44 . . . . 74.5 110.889 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 61.8 m -139.43 141.62 37.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 71.31 111.169 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.417 HG21 ' CD1' ' A' ' 36' ' ' LEU . 4.1 mp -132.49 136.42 56.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 60.44 111.106 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.533 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -129.06 131.71 47.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.173 -0.467 . . . . 32.42 111.095 179.783 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 135.45 39.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 73.41 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.469 HG11 HG22 ' A' ' 86' ' ' VAL . 43.4 t -106.04 119.6 55.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.45 111.145 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 83.38 48.11 5.45 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.782 -0.723 . . . . 70.12 112.475 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -79.3 119.73 22.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.817 0.341 . . . . 63.24 111.096 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.2 m -123.96 -175.51 3.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 63.35 110.859 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -92.29 43.3 1.13 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.152 -0.476 . . . . 64.23 110.879 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.4 mmtm -108.93 87.55 4.69 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.582 0.706 . . . . 50.15 110.907 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -7.4 20.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 71.23 112.34 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -102.44 23.93 11.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 63.42 110.888 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -122.88 160.78 47.69 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.611 0.719 . . . . 63.24 110.856 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.405 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.0 Cg_endo -69.8 -18.77 36.64 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.716 2.277 . . . . 74.54 112.367 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 78.5 p -76.95 -27.3 54.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 74.23 110.841 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 6.5 t80 -88.19 -45.59 9.97 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.117 -0.492 . . . . 72.12 110.908 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.405 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 8.6 ptm180 -53.48 -33.4 54.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 65.45 110.857 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.672 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 9.1 p -77.15 -36.2 24.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 75.44 111.138 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 23.0 ttm -58.53 -61.7 2.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.489 . . . . 72.31 110.893 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -64.56 -21.05 66.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 71.55 110.916 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.2 t80 -71.65 -47.27 55.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 73.32 110.904 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' CD1' HG21 ' A' ' 16' ' ' ILE . 50.9 mt -67.36 -40.56 85.79 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.13 -0.486 . . . . 72.33 110.892 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -62.05 -46.84 87.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 64.25 110.906 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -57.66 -53.73 54.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.462 . . . . 70.04 110.816 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -57.56 -25.38 59.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 64.02 110.844 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 105.29 53.91 0.77 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.766 -0.731 . . . . 44.41 112.494 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -124.33 168.25 13.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.88 0.372 . . . . 74.44 110.926 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -102.07 114.38 28.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 72.31 110.889 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.561 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.8 OUTLIER -108.89 142.51 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 71.05 111.166 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 53.1 mt -129.44 77.96 76.48 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.605 0.717 . . . . 63.05 111.144 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.83 12.61 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.695 2.263 . . . . 73.12 112.322 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -119.83 122.21 68.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 62.43 111.147 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.36 152.86 47.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.638 0.732 . . . . 75.33 110.906 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -8.72 24.32 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.657 2.238 . . . . 52.03 112.335 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.8 mtpt -105.31 -34.25 7.93 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 71.14 110.907 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.635 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.3 p -79.54 -5.74 8.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.267 -0.424 . . . . 73.43 111.124 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.55 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -55.22 100.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 52.41 111.067 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.38 20.46 15.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.7 -0.762 . . . . 72.1 112.492 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -136.89 170.55 15.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.861 0.362 . . . . 75.32 110.912 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -117.19 119.62 35.76 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 73.55 111.183 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.3 mt -111.38 116.95 31.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.936 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.3 mt 58.34 22.88 9.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 71.44 110.932 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 91.48 6.46 66.07 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.739 -0.743 . . . . 53.41 112.478 179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.561 ' HG3' HG23 ' A' ' 43' ' ' VAL . 43.0 mm-40 -105.98 133.85 50.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.777 0.322 . . . . 74.24 110.912 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.7 tp60 -61.61 142.11 57.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 70.34 110.855 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.635 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -98.95 155.47 20.03 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.72 -0.752 . . . . 73.55 112.485 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.5 m-85 -148.23 138.49 22.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 72.23 110.933 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.55 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -68.08 -26.35 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 71.14 111.116 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.7 t -161.26 152.14 18.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 71.33 111.148 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.914 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -64.6 -15.51 61.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 74.11 110.894 179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -90.74 11.76 21.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.42 111.166 179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -113.08 -20.6 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 74.23 110.876 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.44 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -82.7 133.16 49.76 Favored Pre-proline 0 C--N 1.33 -0.272 0 CA-C-O 121.622 0.725 . . . . 75.52 111.095 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.44 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.5 Cg_endo -69.79 -42.08 3.69 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.684 2.256 . . . . 74.1 112.369 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.6 tp10 -69.76 151.52 45.7 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.226 -0.443 . . . . 72.21 110.897 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 26.0 mttp -101.13 144.52 29.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.22 110.912 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.533 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.5 p -91.29 144.08 9.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 72.52 111.078 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.728 ' OD2' HG23 ' A' ' 13' ' ' THR . 7.4 t70 -91.93 -37.43 12.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 75.43 110.863 179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 33.8 ttp -140.35 114.16 8.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 70.41 110.937 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.481 ' HB ' HD12 ' A' ' 98' ' ' LEU . 32.3 t -80.77 106.9 12.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.428 . . . . 74.12 111.136 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -79.65 99.7 7.49 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 73.34 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 22.9 t -95.8 107.46 19.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.209 -0.451 . . . . 64.11 111.143 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.672 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 16.9 m-85 -119.8 -9.29 9.74 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 75.51 110.862 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 71.7 mtp180 -51.55 -70.6 0.08 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 54.44 110.857 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 18.6 t30 -174.77 178.51 1.85 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 61.21 110.887 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 97.5 p -68.11 -53.21 27.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 65.53 110.883 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -54.12 -36.63 63.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 64.21 110.834 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.87 -28.7 63.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 54.12 111.073 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.73 -42.61 62.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 75.32 111.113 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.537 ' CZ3' HD12 ' A' ' 112' ' ' LEU . 58.2 t-105 -63.09 -54.48 37.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 74.41 110.909 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.76 -39.24 61.11 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.744 -0.741 . . . . 72.25 112.523 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.469 HG22 HG11 ' A' ' 19' ' ' VAL . 58.6 t -75.93 -34.27 27.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.817 0.341 . . . . 64.13 111.078 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -59.66 -54.21 49.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.048 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -59.45 -42.03 91.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.262 -0.426 . . . . 73.13 110.916 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.68 ' HB3' HD11 ' A' ' 64' ' ' LEU . 1.8 mt-10 -58.59 -45.96 88.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 72.43 110.913 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' CB ' ' A' ' 95' ' ' ALA . . . -59.84 -39.38 84.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 65.24 111.111 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.754 HD12 HD22 ' A' ' 112' ' ' LEU . 48.6 mt -68.54 -28.44 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 65.32 111.119 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.65 -39.15 62.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 64.22 111.129 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.914 HD13 HD12 ' A' ' 64' ' ' LEU . 40.3 pt -83.01 -27.83 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 72.25 111.132 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 97.79 58.93 0.97 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.78 -0.724 . . . . 63.14 112.474 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.674 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -70.25 -169.82 0.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.829 0.347 . . . . 55.23 111.105 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.467 ' NZ ' HG21 ' A' ' 13' ' ' THR . 21.0 mtmt -130.0 -40.18 1.35 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.249 -0.432 . . . . 64.15 110.868 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 m -142.1 158.43 43.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.235 -0.439 . . . . 74.34 111.117 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.489 HD23 HG23 ' A' ' 120' ' ' VAL . 2.9 tp -140.07 121.89 15.46 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 75.13 110.937 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.546 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.9 t-105 -120.37 126.93 51.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 64.53 110.866 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.646 ' HB3' HG11 ' A' ' 104' ' ' VAL . 50.3 mt -99.95 -175.51 2.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 45.14 110.926 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.457 ' O ' HG12 ' A' ' 104' ' ' VAL . 4.8 tp60 -85.85 135.21 33.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 71.1 110.896 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 1.1 mt -51.2 125.05 12.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 63.14 110.906 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.19 20.28 18.59 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.499 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.646 HG11 ' HB3' ' A' ' 100' ' ' LEU . 9.5 p -116.32 145.32 22.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.772 0.32 . . . . 74.2 111.127 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 61.9 mt -143.33 101.58 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 70.34 111.128 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -120.35 90.84 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 74.13 110.922 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.718 ' O ' HG23 ' A' ' 111' ' ' VAL . 70.2 tt0 -53.08 -32.78 48.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.155 -0.475 . . . . 73.34 110.853 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -53.71 18.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 64.41 110.899 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -55.22 -27.72 48.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 74.43 111.126 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.66 -32.16 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 72.12 111.088 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.6 t -73.35 -43.32 56.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.249 -0.432 . . . . 64.44 111.085 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.82 -53.75 36.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 75.32 110.925 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.04 -34.21 77.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 64.14 111.118 179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 mtt180 -67.68 -31.33 71.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 75.43 110.852 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -64.81 -47.79 76.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 72.14 110.918 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.513 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -80.75 -24.23 38.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 72.52 111.154 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 106.98 -5.39 36.43 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.768 -0.729 . . . . 60.31 112.488 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.674 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.88 163.28 0.35 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 61.32 110.91 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.43 95.48 6.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 71.03 110.853 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.489 HG23 HD23 ' A' ' 98' ' ' LEU . 6.6 p -91.65 143.28 11.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 74.12 111.055 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.546 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.7 t -144.71 109.12 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 72.44 111.108 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.79 177.19 4.93 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.34 110.931 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.4 t70 51.95 35.01 14.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.271 -0.422 . . . . 62.44 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -144.79 159.32 43.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 62.04 110.858 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -158.3 133.09 5.44 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.568 0.699 . . . . 75.33 110.896 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.402 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 54.1 Cg_endo -69.73 -16.59 37.74 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.696 2.264 . . . . 52.35 112.318 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.66 -44.19 96.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.247 -0.433 . . . . 72.45 111.084 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 56.9 mt -98.32 -18.47 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.32 111.15 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 25.4 tt0 -74.08 -28.06 61.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 62.54 110.866 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.613 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.3 tp -69.14 -57.68 7.13 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.644 0.735 . . . . 61.42 110.916 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.9 Cg_endo -69.73 -7.29 20.68 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.64 2.227 . . . . 75.41 112.351 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 10.3 ptt180 -51.93 -29.76 21.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 71.04 110.935 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.409 HD12 HD13 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -88.69 -30.85 18.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 73.21 110.893 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.95 34.92 5.99 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 45.55 112.448 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.409 HD13 HD12 ' A' ' 133' ' ' LEU . 8.3 mp -115.27 -26.91 7.43 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.767 0.317 . . . . 73.11 110.92 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.613 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -52.58 150.59 4.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 75.53 111.094 179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 72.41 110.959 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.4 mtt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.878 0.37 . . . . 65.43 110.881 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.12 154.57 25.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.22 110.898 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.6 tt0 -79.49 113.68 17.82 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.13 110.892 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -151.56 178.55 9.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.24 110.851 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -115.27 -22.7 9.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 73.43 110.894 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.7 pt -52.6 -27.67 11.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 74.54 111.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.472 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.97 -36.98 65.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 71.43 111.155 179.773 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.542 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.12 44.73 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 60.13 112.526 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.1 mp -75.86 -30.38 21.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.845 0.355 . . . . 65.1 111.135 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.32 -26.97 26.23 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 74.24 110.941 179.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.542 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -87.88 -21.65 24.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.44 . . . . 71.41 111.142 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 22.4 t -84.14 -67.08 0.82 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.255 -0.43 . . . . 71.22 110.852 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.5 m -128.34 143.52 51.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 73.23 111.153 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.51 103.93 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.33 110.88 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 99.9 m -139.48 143.46 37.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 63.04 111.133 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 41' ' ' TYR . 3.8 mp -130.26 118.46 43.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.217 -0.447 . . . . 62.11 111.12 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.528 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -112.85 124.95 53.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 71.12 111.088 179.823 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.842 HD23 ' HB2' ' A' ' 21' ' ' ALA . 1.3 tp -94.28 135.45 35.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.221 -0.445 . . . . 73.04 110.88 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 90.2 t -107.73 117.5 53.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 74.41 111.112 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.23 74.28 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.707 -0.759 . . . . 65.12 112.497 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.842 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -110.03 155.07 22.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.759 0.314 . . . . 74.32 111.11 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.5 t -168.62 -169.62 1.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 62.14 110.855 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.4 p-10 -95.0 44.48 1.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 72.25 110.838 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 20.1 mmtp -109.91 83.41 2.87 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.566 0.698 . . . . 74.04 110.881 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -6.16 17.93 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 74.52 112.374 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -97.34 24.82 6.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 72.21 110.831 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -132.43 159.53 71.97 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.611 0.72 . . . . 74.55 110.855 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.569 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.8 -14.39 35.89 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.718 2.279 . . . . 64.42 112.344 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -77.22 -26.21 52.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 62.21 110.889 -179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -87.52 -46.72 9.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.109 -0.496 . . . . 75.35 110.912 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 16.4 ptp180 -53.44 -34.05 56.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.48 . . . . 65.24 110.828 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.741 HG11 ' CE2' ' A' ' 77' ' ' PHE . 97.5 t -77.32 -36.34 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 60.44 111.092 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 4.9 ttt -57.81 -63.17 1.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.849 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.4 ttpp -60.17 -22.31 62.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.265 -0.425 . . . . 74.11 110.923 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -70.0 -51.37 32.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.34 110.913 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 HD13 HG21 ' A' ' 16' ' ' ILE . 97.1 mt -64.06 -35.65 81.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.143 -0.481 . . . . 73.23 110.935 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 51.5 mt -72.62 -37.92 67.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 74.41 110.905 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -64.76 -55.84 17.31 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 75.31 110.898 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.424 ' NE2' ' HB1' ' A' ' 136' ' ' ALA . 20.6 mm100 -59.45 -25.37 64.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 74.22 110.88 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 100.82 71.25 0.93 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.748 -0.739 . . . . 53.34 112.528 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.493 ' HB3' HD13 ' A' ' 16' ' ' ILE . 33.0 m-85 -136.45 168.89 18.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.907 0.384 . . . . 72.42 110.9 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -89.79 103.74 16.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.135 -0.484 . . . . 74.44 110.902 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.798 HG12 ' HD3' ' A' ' 45' ' ' PRO . 93.1 t -100.25 130.08 50.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.468 . . . . 73.52 111.128 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 mt -129.42 79.37 74.09 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.635 0.731 . . . . 73.2 111.169 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.798 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.7 Cg_endo -69.72 149.38 67.09 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.662 2.241 . . . . 75.52 112.396 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.5 t -141.13 121.75 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.432 . . . . 75.23 111.1 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.578 ' HB2' HG22 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -146.73 151.87 43.45 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.65 0.738 . . . . 74.33 110.863 -179.849 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -11.86 31.71 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.654 2.236 . . . . 44.43 112.346 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 mmmt -106.54 -26.36 11.43 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.228 -0.442 . . . . 75.31 110.918 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.578 HG22 ' HB2' ' A' ' 47' ' ' SER . 10.7 m -89.01 11.34 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 73.43 111.12 179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.591 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.41 82.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 74.01 111.09 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 2.77 7.06 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.766 -0.731 . . . . 63.15 112.487 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.6 ptmt -121.59 159.34 26.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.876 0.37 . . . . 74.13 110.91 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.54 111.14 23.73 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.132 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.38 110.41 21.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.289 -0.414 . . . . 63.3 110.938 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.2 mt 59.49 20.62 9.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.34 110.904 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 103.23 -9.68 54.17 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.678 -0.772 . . . . 62.41 112.493 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.7 123.89 38.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.772 0.32 . . . . 62.02 110.896 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 13.9 tp60 -60.83 129.16 40.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 72.35 110.865 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -86.75 172.06 43.87 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.728 -0.748 . . . . 75.42 112.477 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 17.9 m-85 -156.23 136.66 13.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.89 0.376 . . . . 72.03 110.943 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.591 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -57.94 -25.18 60.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.096 -0.502 . . . . 72.44 111.047 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 9.0 t -172.59 164.4 5.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.237 -0.438 . . . . 74.51 111.115 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.029 HD13 HD13 ' A' ' 93' ' ' ILE . 4.1 pp -64.71 -15.45 61.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.54 110.885 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.95 12.05 23.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 73.55 111.094 179.823 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -112.08 -20.84 11.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 64.51 110.866 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.426 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -86.0 132.91 42.34 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.59 0.709 . . . . 72.12 111.093 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.426 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.74 -42.69 3.2 Favored 'Trans proline' 0 C--O 1.231 0.134 0 C-N-CA 122.719 2.279 . . . . 63.23 112.357 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -73.03 151.76 41.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.213 -0.449 . . . . 71.5 110.873 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -101.74 133.07 47.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 74.52 110.884 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.528 HG21 ' HB3' ' A' ' 17' ' ' ALA . 6.3 p -74.09 144.13 12.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 74.3 111.137 179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -95.14 -33.92 12.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 73.2 110.797 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 28.2 ttp -139.8 111.64 7.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 73.14 110.91 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.405 HG22 HG11 ' A' ' 71' ' ' VAL . 24.0 t -88.6 123.62 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 71.3 111.102 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -111.23 121.11 44.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.04 110.879 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.2 t -107.49 116.55 51.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 63.22 111.127 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.741 ' CE2' HG11 ' A' ' 32' ' ' VAL . 66.8 m-85 -120.07 -9.09 9.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.887 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 53.4 mtp85 -51.32 -74.09 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 61.43 110.855 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.4 m120 -156.08 179.52 9.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 73.03 110.886 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.3 p -73.88 -56.09 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.162 -0.472 . . . . 54.33 110.867 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -55.3 -28.37 53.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.089 -0.505 . . . . 53.12 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.417 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.69 -26.58 67.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 71.32 111.093 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -42.01 64.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 63.23 111.073 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.9 t-105 -66.24 -53.75 33.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.193 -0.458 . . . . 74.15 110.925 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -55.72 -39.92 77.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.721 -0.752 . . . . 61.1 112.472 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 82' ' ' ALA . 76.8 t -75.33 -35.92 34.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.81 0.338 . . . . 73.35 111.155 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.04 -54.3 48.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 63.12 111.143 179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -59.28 -42.09 90.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.173 -0.467 . . . . 74.33 110.881 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.803 ' HB3' HD21 ' A' ' 64' ' ' LEU . 4.7 mt-10 -60.42 -46.56 89.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.456 . . . . 65.25 110.947 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.713 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.35 -50.05 71.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.103 -0.499 . . . . 62.24 111.123 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 mt -62.39 -32.62 55.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 71.21 111.159 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -63.17 -50.9 68.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.472 . . . . 43.55 111.103 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.029 HD13 HD13 ' A' ' 64' ' ' LEU . 33.0 pt -74.15 -30.54 27.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 64.33 111.108 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.04 60.14 0.45 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.742 . . . . 74.44 112.495 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.713 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -69.61 178.17 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.896 0.379 . . . . 61.21 111.111 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -121.29 -34.48 3.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 60.2 110.891 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.472 ' OG1' HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -149.05 157.88 43.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 53.14 111.169 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 56.6 tp -138.76 132.47 30.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.253 -0.43 . . . . 65.34 110.935 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.467 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.4 t-105 -129.96 142.88 50.58 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 63.24 110.934 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.681 HD12 ' HB3' ' A' ' 122' ' ' MET . 23.3 mt -119.4 -173.86 2.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 74.35 110.91 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.655 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.7 mm-40 -80.36 169.55 17.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.881 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.63 HD12 ' HB3' ' A' ' 125' ' ' CYS . 0.6 OUTLIER -86.89 133.05 33.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 72.22 110.931 179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 94.83 -12.24 68.81 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.702 -0.761 . . . . 71.44 112.488 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 101' ' ' GLN . 10.6 p -90.19 141.47 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.809 0.338 . . . . 41.13 111.147 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 64.7 mt -135.48 105.4 5.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 62.22 111.121 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -115.07 90.26 3.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 64.42 110.883 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.662 ' O ' HG23 ' A' ' 111' ' ' VAL . 22.1 tt0 -60.72 -36.09 77.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.1 110.916 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.4 -40.9 96.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 61.53 110.939 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.73 -29.76 66.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 64.42 111.047 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.769 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -69.97 -33.85 72.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.208 -0.451 . . . . 44.03 111.113 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.662 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.7 t -76.12 -45.25 36.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 73.3 111.145 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 30.4 tp -52.27 -35.11 49.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 63.21 110.884 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.48 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -86.08 -30.65 22.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 51.33 111.075 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 18.9 tpt180 -68.98 -33.05 73.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.222 -0.445 . . . . 74.42 110.835 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -68.79 -35.15 76.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.447 . . . . 72.32 110.885 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -88.3 -24.05 23.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 64.15 111.141 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.13 -10.87 34.02 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.722 -0.752 . . . . 71.55 112.52 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.48 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.3 OUTLIER -51.81 160.04 0.74 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 73.01 110.951 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 1.8 m -104.52 94.88 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 55.43 110.823 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.769 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -92.44 134.14 31.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.119 -0.491 . . . . 73.23 111.095 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.467 HG11 ' CH2' ' A' ' 99' ' ' TRP . 30.3 t -137.56 108.11 5.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.088 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.681 ' HB3' HD12 ' A' ' 100' ' ' LEU . 1.2 ptt? -107.29 -178.58 3.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 61.1 110.896 179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 28.1 t70 52.65 34.7 16.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.247 -0.433 . . . . 70.45 110.835 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 40.8 mtt180 -148.02 137.54 22.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 72.51 110.909 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.63 ' HB3' HD12 ' A' ' 102' ' ' LEU . 12.3 t -125.57 129.06 24.51 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.594 0.712 . . . . 52.44 110.842 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -15.08 36.82 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.716 2.278 . . . . 73.52 112.366 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -66.85 -41.65 87.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 43.41 111.106 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.8 mt -98.16 -19.33 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 53.24 111.096 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 18.8 tt0 -70.56 -47.76 58.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 64.34 110.873 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.549 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.4 tp -50.82 -56.93 15.53 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-O 121.601 0.715 . . . . 72.41 110.915 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.549 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.9 Cg_endo -69.71 -4.35 13.82 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.692 2.261 . . . . 71.33 112.332 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -79.47 -35.91 39.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.261 -0.427 . . . . 73.52 110.916 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 1.4 tp -114.07 -30.83 6.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.14 110.932 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -96.12 -23.42 17.36 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.759 -0.734 . . . . 43.55 112.487 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 64.09 27.29 14.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 74.12 110.923 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.474 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.83 168.15 0.06 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.179 -0.464 . . . . 45.32 111.154 179.762 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 39.9 mmtt . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 63.12 110.875 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 ptt? . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.828 0.347 . . . . 73.21 110.865 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 28.2 mmtp -79.07 -52.42 8.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 72.51 110.923 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 57.1 26.71 12.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.21 110.885 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -95.03 -65.73 0.96 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 72.24 110.844 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -73.95 164.35 26.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 72.2 110.859 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.9 pt -53.17 -27.37 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 72.2 111.127 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.496 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.92 -37.12 65.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 74.2 111.091 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.64 -34.3 44.47 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 75.51 112.507 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 9' ' ' ILE . 4.9 mp -75.73 -29.94 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.911 0.386 . . . . 73.53 111.177 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.496 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.4 -27.15 25.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.193 -0.458 . . . . 63.05 110.944 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.0 -21.43 24.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 70.21 111.108 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 33.4 t -84.15 -67.02 0.83 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.441 . . . . 74.42 110.862 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.37 141.06 51.54 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.073 -0.512 . . . . 72.23 111.107 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.1 ptp180 -114.84 103.7 11.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.229 -0.441 . . . . 74.05 110.89 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 86.5 m -139.8 125.52 19.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 72.31 111.108 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.598 HD13 ' HB3' ' A' ' 41' ' ' TYR . 4.4 mp -115.51 134.96 57.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 61.45 111.104 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -125.58 127.33 46.2 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.476 . . . . 70.42 111.144 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -95.78 120.72 36.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 73.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 ' HA ' HG12 ' A' ' 46' ' ' VAL . 67.8 t -90.12 114.22 27.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 44.04 111.14 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.41 65.92 1.64 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.773 -0.727 . . . . 34.03 112.453 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 45' ' ' PRO . . . -105.99 107.2 18.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.778 0.323 . . . . 72.12 111.098 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -107.38 -168.82 1.44 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.44 110.82 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.6 p30 -92.43 43.09 1.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.135 -0.484 . . . . 73.15 110.818 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.9 mmtm -109.65 84.11 3.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.58 0.705 . . . . 74.25 110.899 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.42 18.56 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.653 2.235 . . . . 71.41 112.296 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -98.49 25.5 6.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.271 -0.422 . . . . 72.25 110.851 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -129.6 160.15 66.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.607 0.717 . . . . 75.34 110.865 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.6 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.8 Cg_endo -69.8 -16.39 37.35 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.652 2.235 . . . . 63.25 112.318 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 16.4 m -77.49 -27.96 52.08 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.196 -0.456 . . . . 45.31 110.876 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -87.71 -44.93 10.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.489 . . . . 71.41 110.89 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.8 ptm180 -53.19 -31.82 44.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 71.23 110.877 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.79 HG11 ' CE2' ' A' ' 77' ' ' PHE . 90.7 t -77.08 -41.23 30.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 75.31 111.114 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.743 ' HG3' HG11 ' A' ' 43' ' ' VAL . 24.3 ttp -54.81 -60.14 3.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 71.32 110.862 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 23.3 ttpt -65.08 -22.45 66.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 74.45 110.888 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -69.06 -48.44 62.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 74.32 110.889 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.59 ' CD1' HG21 ' A' ' 16' ' ' ILE . 88.5 mt -70.75 -35.1 72.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.136 -0.484 . . . . 74.14 110.918 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.529 HD12 HD13 ' A' ' 56' ' ' LEU . 45.9 mt -65.8 -38.92 90.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 62.03 110.891 179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -74.55 -46.47 38.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 71.11 110.891 179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.5 mm-40 -56.92 -25.3 57.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 74.33 110.891 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 108.85 53.4 0.62 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.73 -0.748 . . . . 34.54 112.512 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.598 ' HB3' HD13 ' A' ' 16' ' ' ILE . 92.5 m-85 -133.26 176.25 8.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.905 0.383 . . . . 65.21 110.928 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -106.39 114.19 28.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.117 -0.492 . . . . 72.41 110.887 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.743 HG11 ' HG3' ' A' ' 33' ' ' MET . 58.4 t -105.32 124.86 60.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.236 -0.438 . . . . 42.23 111.166 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 29.6 mt -113.99 77.61 3.85 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.612 0.72 . . . . 72.42 111.122 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.679 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.1 Cg_endo -69.73 145.74 58.24 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.665 2.243 . . . . 61.54 112.363 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.482 HG13 ' O ' ' A' ' 46' ' ' VAL . 12.4 p -135.42 122.36 34.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 75.44 111.153 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.556 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -147.4 151.77 40.83 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.682 0.753 . . . . 32.55 110.879 -179.865 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -10.76 29.35 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.735 2.29 . . . . 75.12 112.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -106.77 -26.6 11.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.252 -0.431 . . . . 75.44 110.94 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.556 HG22 ' CB ' ' A' ' 47' ' ' SER . 15.1 m -88.91 10.94 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.186 -0.461 . . . . 74.1 111.081 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -69.3 82.39 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 42.34 111.107 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.73 1.2 6.51 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 54.14 112.488 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.64 156.29 29.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.797 0.332 . . . . 63.55 110.916 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -106.93 108.95 20.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.266 -0.424 . . . . 54.01 111.107 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -90.29 113.93 25.87 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 74.33 110.927 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.529 HD13 HD12 ' A' ' 37' ' ' LEU . 4.6 mt 57.04 25.43 10.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 71.54 110.944 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.96 -8.13 65.17 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 74.41 112.497 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 40.4 mm-40 -94.72 121.37 36.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.775 0.321 . . . . 71.25 110.9 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 15.4 tp60 -61.87 131.15 48.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 72.41 110.931 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -87.51 172.51 42.96 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 62.14 112.508 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.9 m-85 -155.69 136.84 13.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.873 0.368 . . . . 73.31 110.895 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.16 -37.64 77.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.102 -0.499 . . . . 74.23 111.081 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.8 t -154.3 166.07 34.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 72.44 111.125 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.683 HD21 ' HB3' ' A' ' 89' ' ' GLU . 4.0 pp -68.2 -15.26 63.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.883 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.87 11.74 19.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 74.2 111.103 179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -117.93 -13.62 10.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 65.23 110.896 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.476 ' O ' HG13 ' A' ' 67' ' ' VAL . 3.3 p -99.15 104.72 27.87 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.623 0.725 . . . . 72.05 111.114 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -29.07 24.69 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.733 2.289 . . . . 73.14 112.368 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -50.71 126.6 16.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.886 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.74 117.35 15.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.12 110.921 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 61.3 t -88.02 145.41 7.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 73.11 111.121 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -102.03 -28.44 12.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 65.21 110.899 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.4 tpp -141.94 127.32 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 75.45 110.929 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 72.2 t -106.53 97.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.441 . . . . 75.42 111.15 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -74.23 133.41 42.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.12 -0.491 . . . . 71.14 110.852 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.58 109.78 22.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 64.53 111.147 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.79 ' CE2' HG11 ' A' ' 32' ' ' VAL . 83.6 m-85 -124.97 -1.92 7.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.838 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 57.0 mtp180 -51.77 -65.26 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 63.21 110.903 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 61.1 m-20 -157.0 177.61 11.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 74.12 110.885 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 52.5 m -74.95 -58.56 3.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 62.45 110.865 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -63.13 -28.54 70.14 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.113 -0.494 . . . . 74.21 110.91 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.426 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.52 -25.01 50.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 64.21 111.069 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.69 -43.1 62.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 71.41 111.058 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.9 t-105 -68.12 -52.47 34.52 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.227 -0.442 . . . . 72.42 110.889 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -57.42 -36.35 76.45 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.738 . . . . 63.4 112.455 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 82' ' ' ALA . 91.3 t -80.68 -32.83 13.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.86 0.362 . . . . 73.12 111.158 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.611 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -62.7 -49.15 76.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.14 111.061 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -57.33 -43.29 83.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 75.21 110.898 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.683 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.1 mt-10 -65.7 -45.76 81.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 64.35 110.848 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.528 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -61.35 -48.16 82.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 50.05 111.123 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 27.1 mt -63.61 -30.55 50.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.25 -0.432 . . . . 71.42 111.101 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -65.16 -49.89 68.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.457 . . . . 75.45 111.025 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.671 HD13 HD13 ' A' ' 64' ' ' LEU . 36.1 pt -71.27 -30.24 39.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.246 -0.433 . . . . 52.44 111.128 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 112.12 55.82 0.47 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 62.13 112.448 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.561 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.81 177.87 0.69 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.89 0.376 . . . . 72.51 111.088 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.8 mtpp -121.6 -34.62 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 73.11 110.883 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.0 m -153.23 158.39 41.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 64.3 111.162 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 35.9 tp -135.38 129.39 33.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.243 -0.435 . . . . 71.53 110.887 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.655 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.0 t-105 -129.5 129.63 44.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 72.42 110.917 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.478 HD12 ' HG2' ' A' ' 122' ' ' MET . 34.9 mt -112.13 -169.92 1.56 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 44.25 110.893 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -77.73 149.77 34.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 73.32 110.897 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.552 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.6 tp -77.27 137.05 38.58 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.163 -0.471 . . . . 73.41 110.945 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.2 -22.24 40.96 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 61.51 112.509 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.8 t -95.89 149.92 4.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.815 0.341 . . . . 73.32 111.125 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 76.0 mt -141.38 112.71 3.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.181 -0.463 . . . . 53.33 111.142 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -111.34 95.52 5.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 72.55 110.853 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.757 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.3 pt-20 -51.18 -48.34 61.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 72.21 110.858 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -59.17 -47.45 85.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.952 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.03 -32.82 70.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 60.3 111.146 179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.474 ' HB2' ' SD ' ' A' ' 122' ' ' MET . . . -74.31 -46.7 39.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.21 111.069 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.757 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.0 t -59.76 -39.98 81.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.218 -0.446 . . . . 64.11 111.155 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.611 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.3 tp -54.04 -58.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.126 -0.488 . . . . 53.03 110.9 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -64.23 -27.97 69.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.449 . . . . 24.24 111.066 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -66.79 -35.05 79.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 70.33 110.926 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.4 mt-10 -62.46 -35.82 80.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 75.13 110.927 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -90.52 -24.12 20.72 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.152 -0.476 . . . . 72.15 111.116 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 102.78 -8.6 54.6 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.722 -0.752 . . . . 53.13 112.486 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.561 HD21 ' HB3' ' A' ' 95' ' ' ALA . 2.6 tp -52.1 149.46 5.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.814 0.34 . . . . 72.3 110.907 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 5.5 m -81.82 97.01 7.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.826 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.7 p -93.98 123.46 46.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 60.4 111.127 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.655 HG11 ' CH2' ' A' ' 99' ' ' TRP . 60.1 t -121.93 105.69 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.05 111.173 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.478 ' HG2' HD12 ' A' ' 100' ' ' LEU . 33.1 mtm -104.25 178.46 4.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 73.13 110.901 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 41.65 40.68 1.48 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 73.13 110.896 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.552 ' HA ' HD12 ' A' ' 102' ' ' LEU . 54.7 mmm-85 -150.27 133.39 16.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 63.44 110.894 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 21.8 t -136.57 129.45 17.54 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.535 0.683 . . . . 72.51 110.906 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.412 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 54.1 Cg_endo -69.75 -21.66 33.23 Favored 'Trans proline' 0 C--O 1.231 0.141 0 C-N-CA 122.688 2.259 . . . . 74.23 112.369 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.33 93.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 71.43 111.105 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 39.9 mt -98.36 -18.93 6.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 72.21 111.094 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.412 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 15.8 tm-20 -74.43 -28.04 60.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.179 -0.464 . . . . 65.53 110.922 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.653 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.1 tp -68.71 -57.67 7.82 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.562 0.696 . . . . 73.3 110.871 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.78 -7.18 20.42 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.651 2.234 . . . . 71.03 112.319 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.2 ptm180 -51.86 -29.88 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.242 -0.436 . . . . 64.42 110.871 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.7 tp -90.58 -30.49 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.927 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.99 37.46 5.18 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 54.12 112.481 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -116.34 -26.36 7.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.804 0.335 . . . . 60.31 110.877 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.653 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.65 153.02 2.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 73.35 111.117 179.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 74.53 110.957 179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.834 0.35 . . . . 74.25 110.881 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 13.7 ptpt -156.58 114.07 3.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 70.1 110.922 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 14.4 mp0 -136.19 119.09 16.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 71.54 110.917 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.5 m-80 -102.99 54.37 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 73.24 110.913 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -143.99 160.32 41.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 65.42 110.894 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.6 pt -52.69 -27.54 11.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.23 -0.441 . . . . 44.22 111.153 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.409 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.09 -38.9 68.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 72.13 111.102 179.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.568 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.86 -32.96 47.85 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 61.51 112.471 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.484 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.5 mp -75.25 -30.86 23.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.873 0.368 . . . . 73.54 111.175 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.28 -27.79 25.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 72.23 110.951 179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.568 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.4 t -86.61 -21.22 26.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 54.02 111.149 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.7 t -84.95 -66.41 0.9 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 51.4 110.889 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -128.33 144.65 51.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.139 -0.482 . . . . 52.02 111.171 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.2 ptt-85 -117.11 103.79 10.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.251 -0.432 . . . . 74.44 110.895 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.618 HG22 HG23 ' A' ' 71' ' ' VAL . 98.9 m -139.6 143.64 37.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 41.44 111.148 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.671 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -127.28 135.09 64.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 73.22 111.112 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.866 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -121.45 132.05 54.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.161 -0.472 . . . . 62.4 111.153 179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.663 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.5 tp -110.55 135.56 51.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 75.23 110.899 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -110.53 133.32 56.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.199 -0.455 . . . . 64.42 111.115 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.11 51.01 5.54 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.697 -0.763 . . . . 62.11 112.477 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.663 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -87.39 139.42 30.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.757 0.313 . . . . 63.23 111.119 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.2 t -157.4 -169.31 2.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 60.32 110.846 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -93.12 41.73 1.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 62.42 110.837 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.8 mmtm -110.24 82.96 2.85 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.522 0.677 . . . . 73.31 110.899 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 -5.93 17.36 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.695 2.264 . . . . 72.05 112.349 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -98.65 26.41 5.63 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 75.12 110.851 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -131.6 160.07 69.04 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.606 0.717 . . . . 63.4 110.874 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.613 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.9 Cg_endo -69.74 -16.38 37.63 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.722 2.281 . . . . 60.41 112.359 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.21 -27.68 53.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.816 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.58 -44.67 11.08 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.105 -0.498 . . . . 73.43 110.948 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -30.39 37.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 74.14 110.857 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.782 HG11 ' CE2' ' A' ' 77' ' ' PHE . 92.7 t -77.1 -35.87 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 52.34 111.148 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.49 ' HE3' HD11 ' A' ' 37' ' ' LEU . 2.5 tpt -61.44 -60.23 4.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 71.12 110.872 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.96 -24.87 67.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 61.34 110.906 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -70.05 -51.46 31.84 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.21 -0.45 . . . . 60.31 110.919 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.671 ' CD1' HG21 ' A' ' 16' ' ' ILE . 58.6 mt -67.06 -36.99 83.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.109 -0.496 . . . . 65.44 110.889 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.734 HD12 HD22 ' A' ' 56' ' ' LEU . 25.9 mt -70.06 -28.94 65.85 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 75.43 110.926 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -69.77 -55.97 8.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 71.25 110.861 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.499 ' CD ' ' HB1' ' A' ' 136' ' ' ALA . 39.6 mm-40 -57.69 -25.24 60.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 45.14 110.883 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.68 43.36 1.83 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.759 -0.734 . . . . 75.24 112.481 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 57.5 m-85 -107.19 172.88 6.58 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.922 0.391 . . . . 55.32 110.928 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -101.93 110.29 22.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 73.0 110.842 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.405 HG11 ' SD ' ' A' ' 33' ' ' MET . 18.8 t -107.1 147.12 12.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.122 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 59.7 mt -135.57 80.45 44.67 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.631 0.729 . . . . 75.33 111.146 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.75 139.14 39.52 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.726 2.284 . . . . 64.45 112.375 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.3 t -133.52 121.91 42.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.256 -0.429 . . . . 70.54 111.159 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.72 151.95 43.69 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.716 0.769 . . . . 71.14 110.819 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -9.76 26.89 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 64.42 112.34 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.1 pttm -107.0 -31.29 8.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 70.24 110.919 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.2 m -81.48 0.48 3.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.246 -0.434 . . . . 61.12 111.116 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.572 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -63.65 90.71 0.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 63.14 111.067 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 122.48 1.61 10.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.721 -0.752 . . . . 63.24 112.492 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 9.5 ptmm? -116.54 177.75 4.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.906 0.384 . . . . 63.24 110.897 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.26 103.61 7.5 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 71.22 111.157 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 7.1 mt -88.86 112.84 23.74 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.44 . . . . 70.51 110.899 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.734 HD22 HD12 ' A' ' 37' ' ' LEU . 4.7 mp 56.46 29.44 15.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 73.44 110.906 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 92.13 -3.89 77.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 44.12 112.447 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.41 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 43.4 mm-40 -94.68 126.34 39.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.76 0.314 . . . . 62.35 110.926 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.6 tp60 -67.38 119.24 11.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 64.13 110.964 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.23 171.08 43.67 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 44.23 112.468 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -155.95 135.7 12.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.897 0.379 . . . . 71.22 110.91 -179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.572 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -65.33 -31.89 73.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.08 -0.509 . . . . 74.15 111.11 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 71.4 p -150.38 147.23 27.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 71.3 111.142 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.667 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -65.05 -15.2 62.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.14 110.973 179.941 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -92.78 12.68 22.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 65.42 111.106 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.0 t0 -112.8 -20.62 11.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 75.14 110.89 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.42 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -79.66 132.95 59.96 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 54.55 111.173 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.42 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.72 -42.56 3.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.685 2.257 . . . . 62.43 112.323 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 27.1 tp10 -65.08 130.94 45.2 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 54.2 110.895 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 75.6 mttt -91.22 117.54 29.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 54.02 110.935 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.866 HG21 ' HB2' ' A' ' 17' ' ' ALA . 8.0 p -74.26 144.57 12.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.239 -0.437 . . . . 54.21 111.133 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.484 ' OD1' HG23 ' A' ' 9' ' ' ILE . 7.8 t0 -97.69 -24.14 15.63 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 72.14 110.842 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.482 ' H ' HG22 ' A' ' 71' ' ' VAL . 12.6 ttp -139.14 113.52 8.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.451 . . . . 72.34 110.868 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.601 HG22 HG11 ' A' ' 71' ' ' VAL . 72.4 t -97.23 114.2 33.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 65.54 111.113 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.559 ' OD1' HG23 ' A' ' 16' ' ' ILE . 1.6 m-20 -98.7 129.2 45.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 44.04 110.881 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.3 t -116.15 116.4 52.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 70.42 111.131 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.782 ' CE2' HG11 ' A' ' 32' ' ' VAL . 72.1 m-85 -121.32 -6.3 9.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 71.13 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 10.6 mtt180 -51.1 -74.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 75.22 110.898 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.91 -179.76 7.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 75.3 110.893 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.3 t -74.2 -55.2 6.33 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 72.11 110.838 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -57.41 -27.37 62.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 63.31 110.919 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.627 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.46 -25.87 63.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.119 -0.491 . . . . 71.25 111.123 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.78 -43.27 62.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 55.12 111.099 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.594 ' CE3' HD12 ' A' ' 112' ' ' LEU . 52.8 t-105 -65.36 -54.28 31.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.212 -0.449 . . . . 74.41 110.915 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.73 -36.57 55.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.739 -0.743 . . . . 64.35 112.492 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 82' ' ' ALA . 38.4 t -78.51 -38.18 22.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.83 0.348 . . . . 61.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -54.3 -58.71 6.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.242 -0.435 . . . . 62.01 111.102 179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -53.19 -43.13 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.241 -0.436 . . . . 72.51 110.942 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.53 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.7 mt-10 -58.42 -43.18 88.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 60.03 110.893 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.761 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -68.36 -38.79 81.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 64.4 111.073 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.649 HD12 HD22 ' A' ' 112' ' ' LEU . 34.4 mt -70.78 -25.24 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.251 -0.431 . . . . 72.24 111.146 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -74.45 -50.6 17.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 54.11 111.13 179.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.667 HD13 HD12 ' A' ' 64' ' ' LEU . 25.2 pt -76.99 -30.79 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.468 . . . . 73.32 111.153 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.04 78.72 1.16 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.744 -0.741 . . . . 61.34 112.476 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.855 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -84.16 -173.12 4.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.863 0.363 . . . . 41.13 111.136 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -128.96 -38.49 1.64 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 73.03 110.874 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.38 158.29 43.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 65.53 111.148 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 19.7 tp -136.51 119.22 16.09 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.212 -0.449 . . . . 72.14 110.896 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.753 ' CH2' HG11 ' A' ' 121' ' ' VAL . 3.6 t-105 -118.07 137.79 52.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.171 -0.468 . . . . 64.52 110.945 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD12 ' HB3' ' A' ' 122' ' ' MET . 51.8 mt -110.59 -173.1 2.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.867 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.731 ' O ' HG12 ' A' ' 104' ' ' VAL . 5.5 tp60 -89.41 125.93 35.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.04 110.922 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.659 HD22 HD12 ' A' ' 128' ' ' ILE . 2.5 tp -51.75 114.07 1.17 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.262 -0.426 . . . . 75.34 110.879 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 116.07 5.89 16.89 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.768 -0.73 . . . . 63.11 112.507 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.731 HG12 ' O ' ' A' ' 101' ' ' GLN . 7.2 p -126.37 153.55 34.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.806 0.336 . . . . 72.31 111.121 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 35.3 mm -137.26 118.94 18.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 54.15 111.15 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.521 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 4.3 m120 -121.13 88.28 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 61.45 110.878 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 111' ' ' VAL . 29.4 tt0 -58.84 -47.27 85.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 72.12 110.924 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -53.45 58.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 74.01 110.906 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.521 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.91 -30.22 61.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 63.22 111.075 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.81 -47.86 35.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 52.42 111.117 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.654 HG23 ' O ' ' A' ' 107' ' ' GLU . 33.0 t -53.68 -43.49 55.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 62.42 111.133 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.649 HD22 HD12 ' A' ' 91' ' ' ILE . 0.5 OUTLIER -51.32 -58.73 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 65.51 110.93 179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.689 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -65.63 -33.65 76.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 35.12 111.098 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -60.28 -30.52 69.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.237 -0.438 . . . . 65.31 110.844 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 27.1 mm-40 -71.99 -46.45 57.26 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.22 110.922 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.488 ' CB ' HG23 ' A' ' 91' ' ' ILE . . . -74.11 -24.57 59.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.152 -0.476 . . . . 64.21 111.069 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.8 27.07 7.66 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.721 -0.752 . . . . 45.22 112.468 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.855 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -84.23 155.33 22.53 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.836 0.351 . . . . 54.04 110.908 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.7 m -87.62 100.01 12.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 63.5 110.921 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.551 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 20.7 t -91.52 143.24 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 74.31 111.085 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.753 HG11 ' CH2' ' A' ' 99' ' ' TRP . 98.3 t -149.64 105.64 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 54.55 111.137 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.648 ' HB3' HD12 ' A' ' 100' ' ' LEU . 7.9 ptt? -110.23 -178.37 3.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 71.32 110.882 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 19.9 t0 51.18 32.67 8.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 74.21 110.867 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.547 ' HA ' HD12 ' A' ' 102' ' ' LEU . 40.9 mmt180 -152.41 141.29 21.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 74.25 110.879 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.465 ' SG ' HD12 ' A' ' 128' ' ' ILE . 31.6 p -127.6 143.98 49.39 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.631 0.729 . . . . 74.43 110.857 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.42 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.9 Cg_endo -69.73 -24.13 30.17 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.728 2.286 . . . . 71.12 112.361 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -40.07 95.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 62.44 111.154 179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.659 HD12 HD22 ' A' ' 102' ' ' LEU . 62.4 mt -98.51 -22.78 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 74.42 111.159 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.42 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 3.9 tp10 -72.16 -47.23 52.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 74.53 110.897 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.553 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.6 tp -51.1 -56.79 17.1 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.64 0.733 . . . . 64.43 110.912 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.553 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.78 -4.36 13.88 Favored 'Trans proline' 0 C--N 1.343 0.241 0 C-N-CA 122.678 2.252 . . . . 72.41 112.378 179.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -79.27 -35.8 40.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 63.22 110.838 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 7.9 mt -114.2 -30.95 6.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.17 -0.468 . . . . 75.35 110.947 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.95 -22.92 19.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 73.5 112.518 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.18 24.95 12.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.833 0.349 . . . . 74.45 110.895 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.499 ' HB1' ' CD ' ' A' ' 39' ' ' GLN . . . -56.52 -178.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 55.4 111.128 179.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . 0.411 ' H ' ' NE2' ' A' ' 39' ' ' GLN . 45.6 mtpt . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 73.11 110.904 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.4 ptt? . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.816 0.341 . . . . 71.05 110.904 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -116.62 158.75 23.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 72.44 110.867 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -127.47 65.11 1.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 63.14 110.876 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -57.39 -61.23 2.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 73.25 110.889 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.58 ' OD1' ' HB3' ' A' ' 7' ' ' ALA . 4.7 p30 -130.26 -178.33 4.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.135 -0.484 . . . . 65.54 110.818 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 23.2 pt -53.09 -27.59 13.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.471 . . . . 65.24 111.146 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.58 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . . . -54.92 -36.9 65.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 73.34 111.086 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.553 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.71 -34.42 43.74 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.719 -0.753 . . . . 50.43 112.489 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.1 mp -75.65 -30.06 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 52.2 111.141 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.27 -27.18 26.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.167 -0.469 . . . . 73.42 110.903 179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.553 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.11 -21.05 24.89 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 72.14 111.116 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 38.3 t -84.74 -66.86 0.85 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.252 -0.431 . . . . 61.22 110.835 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 t -127.56 144.57 51.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.34 111.138 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -116.47 103.97 10.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 72.01 110.889 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 82.1 m -139.52 135.39 33.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 71.32 111.139 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.591 HG21 HD13 ' A' ' 36' ' ' LEU . 4.2 mp -128.04 129.14 69.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 75.44 111.101 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' HB3' HG21 ' A' ' 71' ' ' VAL . . . -121.64 139.69 53.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.487 . . . . 61.03 111.107 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.1 tp -106.97 135.42 48.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 72.41 110.923 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.664 HG21 HG13 ' A' ' 86' ' ' VAL . 95.8 t -103.58 127.7 57.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.452 . . . . 52.13 111.094 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.08 60.91 3.18 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.705 -0.76 . . . . 41.4 112.489 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.55 117.36 28.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.792 0.33 . . . . 75.23 111.097 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.2 p -126.77 -175.76 3.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 53.3 110.894 -179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -92.96 43.34 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 71.22 110.898 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.2 mmtp -109.71 83.59 2.82 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.567 0.698 . . . . 63.52 110.894 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -6.21 18.06 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.703 2.269 . . . . 72.43 112.369 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -97.6 25.68 5.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 55.33 110.885 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -130.49 160.17 67.29 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.572 0.701 . . . . 64.14 110.909 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.589 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.81 -15.08 36.74 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.652 2.235 . . . . 71.21 112.341 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.28 -27.68 53.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 64.2 110.872 -179.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.559 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.63 -45.41 10.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 72.12 110.912 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 14.3 ptm180 -53.25 -32.64 49.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.12 -0.491 . . . . 72.33 110.883 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.801 HG11 ' CE2' ' A' ' 77' ' ' PHE . 93.6 t -77.23 -36.95 25.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 61.42 111.104 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.405 ' HE1' HD23 ' A' ' 55' ' ' LEU . 2.2 ttt -57.57 -59.31 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 64.25 110.868 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -66.63 -23.99 66.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 70.32 110.891 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' OH ' HD23 ' A' ' 130' ' ' LEU . 1.3 t80 -68.61 -51.46 42.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 75.33 110.935 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD13 HG21 ' A' ' 16' ' ' ILE . 95.4 mt -70.02 -31.73 69.53 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.066 -0.515 . . . . 74.1 110.884 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.524 ' HG ' HG21 ' A' ' 43' ' ' VAL . 13.5 mt -67.72 -46.71 71.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.239 -0.437 . . . . 72.13 110.896 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -68.12 -41.99 80.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 51.24 110.861 179.843 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.666 ' NE2' ' HB1' ' A' ' 136' ' ' ALA . 28.2 mm-40 -56.86 -25.42 56.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 74.44 110.941 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.01 50.93 1.12 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.76 -0.733 . . . . 73.42 112.484 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.441 ' HB3' HD13 ' A' ' 16' ' ' ILE . 60.5 m-85 -124.91 -176.18 3.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.965 0.412 . . . . 74.33 110.927 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.8 t60 -106.87 112.7 25.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.123 -0.489 . . . . 74.22 110.857 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 ' HD3' ' A' ' 45' ' ' PRO . 44.9 t -107.73 130.62 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.444 . . . . 75.2 111.09 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 24.6 mt -127.14 76.51 76.18 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.594 0.712 . . . . 72.41 111.129 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.805 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.73 139.62 40.77 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.676 2.251 . . . . 71.4 112.319 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.7 t -132.02 122.18 48.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.179 -0.464 . . . . 61.21 111.127 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.74 151.5 42.55 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.639 0.733 . . . . 71.53 110.838 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -8.85 24.65 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 73.34 112.317 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.6 tttp -106.28 -33.83 7.67 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 74.42 110.905 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.599 HG22 ' HA3' ' A' ' 60' ' ' GLY . 8.0 p -76.67 -10.43 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 64.21 111.148 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.561 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.35 104.75 0.12 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 53.52 111.082 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 98.84 18.4 25.19 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.782 -0.723 . . . . 71.52 112.511 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.4 mtpp -136.41 169.83 17.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 65.11 110.952 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -114.71 114.71 25.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 73.12 111.154 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.405 HD23 ' HE1' ' A' ' 33' ' ' MET . 14.9 tp -106.4 112.0 24.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.275 -0.42 . . . . 73.51 110.925 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.559 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.8 mp 58.48 22.73 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.2 -0.455 . . . . 63.45 110.892 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 94.55 -5.57 70.37 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.725 -0.75 . . . . 73.21 112.514 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 45.8 mm-40 -94.71 128.68 41.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.741 0.305 . . . . 71.23 110.936 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.8 tp60 -58.3 141.13 51.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 65.42 110.893 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.599 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -94.46 153.44 21.01 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 61.51 112.485 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.615 ' CG ' HG22 ' A' ' 67' ' ' VAL . 13.4 m-85 -144.49 133.95 23.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.898 0.38 . . . . 73.33 110.927 -179.819 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.561 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.46 -33.22 74.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.089 -0.505 . . . . 64.42 111.096 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 68.6 p -149.21 146.09 27.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 72.45 111.165 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.587 HD21 HG22 ' A' ' 19' ' ' VAL . 0.4 OUTLIER -58.29 -32.05 68.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 70.32 110.914 179.966 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.484 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -74.8 -4.66 38.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 61.34 111.085 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -94.34 -5.82 45.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.32 110.862 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.615 HG22 ' CG ' ' A' ' 61' ' ' TYR . 22.2 t -89.16 132.39 37.89 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.615 0.721 . . . . 73.11 111.106 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -42.65 3.2 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.699 2.266 . . . . 70.3 112.333 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -77.68 155.34 31.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 73.11 110.9 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 22.6 mtmt -103.09 128.62 49.91 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.939 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.544 HG21 ' HB3' ' A' ' 17' ' ' ALA . 7.2 p -74.37 137.46 23.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 73.23 111.141 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 38.3 m-20 -93.1 -31.07 14.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 73.33 110.855 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 2.2 ttm -137.3 112.17 8.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 60.11 110.889 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.444 HG22 HG11 ' A' ' 71' ' ' VAL . 81.2 t -87.63 129.86 38.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 73.4 111.158 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -107.52 112.43 25.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 75.14 110.899 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.537 HG11 ' HA ' ' A' ' 83' ' ' ALA . 22.3 t -109.25 105.27 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 73.51 111.091 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.801 ' CE2' HG11 ' A' ' 32' ' ' VAL . 24.1 m-85 -125.87 -0.81 7.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.218 -0.446 . . . . 72.03 110.9 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 -52.0 -66.84 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 72.43 110.865 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -153.48 177.39 10.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 74.04 110.845 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 8.1 p -71.12 -54.87 9.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 62.02 110.861 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -69.94 -26.73 64.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 75.22 110.923 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.405 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -56.64 -24.72 50.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 71.45 111.092 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.537 ' HA ' HG11 ' A' ' 76' ' ' VAL . . . -51.69 -38.83 56.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.12 111.111 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 21.7 t-105 -69.92 -53.49 17.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 75.23 110.904 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.44 -36.07 82.51 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.768 -0.73 . . . . 64.34 112.461 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.664 HG13 HG21 ' A' ' 19' ' ' VAL . 91.1 t -78.86 -28.73 14.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.815 0.341 . . . . 53.15 111.144 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.622 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -66.28 -51.5 56.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 71.01 111.112 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.421 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.5 pt20 -57.4 -42.57 82.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 72.32 110.883 -179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -62.98 -47.01 85.01 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.213 -0.448 . . . . 52.12 110.915 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.464 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -65.21 -42.7 93.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 52.23 111.093 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.405 HG12 HD22 ' A' ' 118' ' ' LEU . 37.4 mt -69.41 -30.38 45.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 64.33 111.165 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -68.63 -41.98 78.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 75.51 111.101 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.484 HG22 ' HB2' ' A' ' 65' ' ' ALA . 50.9 pt -77.45 -24.68 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 64.43 111.133 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 109.63 63.91 0.53 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 62.34 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.66 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -79.51 179.45 7.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.826 0.346 . . . . 72.32 111.121 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mmmt -128.64 -39.29 1.65 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.26 -0.427 . . . . 74.12 110.925 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.61 157.8 44.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 45.34 111.164 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 17.1 tp -138.88 126.12 21.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 65.32 110.933 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.634 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.3 t-105 -125.14 135.11 52.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 74.33 110.922 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.465 HD23 ' HB ' ' A' ' 76' ' ' VAL . 63.0 mt -108.95 -174.6 2.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 73.13 110.914 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.56 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.6 tp60 -81.24 149.89 28.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 74.41 110.882 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.37 120.39 13.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 74.22 110.915 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 100.41 28.05 7.34 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.773 -0.727 . . . . 74.13 112.517 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.56 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.28 149.49 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.786 0.327 . . . . 65.03 111.16 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.3 mp -142.79 101.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 70.34 111.149 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.629 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 7.5 t-20 -120.6 88.66 2.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 75.22 110.891 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.617 ' O ' HG23 ' A' ' 111' ' ' VAL . 17.1 pt-20 -51.53 -47.96 63.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 74.45 110.873 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -56.27 -46.62 79.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.912 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.629 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -64.37 -28.02 69.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 72.34 111.06 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -75.09 -32.57 61.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 74.52 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.617 HG23 ' O ' ' A' ' 107' ' ' GLU . 21.5 t -77.07 -40.89 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.247 -0.433 . . . . 73.25 111.168 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.622 HD23 ' HB3' ' A' ' 87' ' ' ALA . 28.4 tp -53.18 -47.86 68.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.178 -0.464 . . . . 75.33 110.877 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.458 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -71.26 -30.68 66.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.135 179.775 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 17.6 ttt180 -71.62 -30.15 65.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 74.24 110.855 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -68.23 -35.0 77.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 64.12 110.868 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -91.7 -24.14 19.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.495 . . . . 61.03 111.105 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.33 -13.14 30.91 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.737 -0.744 . . . . 72.25 112.492 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.66 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.3 tp -51.74 149.51 4.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 73.02 110.882 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -90.43 99.89 12.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.149 -0.478 . . . . 75.23 110.865 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 7.2 p -92.65 133.08 35.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 73.22 111.117 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.634 HG11 ' CH2' ' A' ' 99' ' ' TRP . 46.0 t -133.93 110.56 14.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.34 111.095 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 1.9 ptt? -111.27 177.35 4.69 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.138 -0.483 . . . . 65.24 110.876 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 17.3 t0 57.16 29.92 17.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.31 110.888 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 3.2 ttp180 -151.96 154.18 35.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 71.52 110.883 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 13.0 t -155.65 129.03 4.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.638 0.732 . . . . 64.14 110.902 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.411 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.7 Cg_endo -69.74 -13.52 34.82 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.708 2.272 . . . . 72.24 112.352 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.46 -46.5 88.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 65.25 111.085 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 63.7 mt -98.34 -20.66 5.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.439 . . . . 72.35 111.126 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.411 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 6.4 tp10 -70.04 -48.13 59.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 73.03 110.899 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.55 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.6 tp -51.1 -56.8 17.01 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.606 0.717 . . . . 73.51 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.78 -4.5 14.16 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.66 2.24 . . . . 73.54 112.337 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.9 -36.24 42.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 71.42 110.925 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 5.9 mt -114.01 -30.84 6.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 72.34 110.927 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.65 -23.34 18.81 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 72.51 112.503 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.03 25.25 12.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 71.31 110.905 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.666 ' HB1' ' NE2' ' A' ' 39' ' ' GLN . . . -53.47 174.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 65.34 111.132 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 4.3 mtmt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 75.44 110.89 179.942 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 ttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.82 0.343 . . . . 74.11 110.89 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -133.99 81.19 1.9 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.41 110.898 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -138.65 171.99 13.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 74.33 110.889 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -125.66 55.56 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 73.34 110.892 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -124.22 159.95 29.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 53.21 110.907 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt -52.72 -27.46 12.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.245 -0.434 . . . . 75.45 111.149 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.51 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -55.82 -36.78 67.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 74.41 111.109 179.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.35 -35.16 43.35 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.762 -0.732 . . . . 53.35 112.496 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 9' ' ' ILE . 5.0 mp -75.39 -30.11 22.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 73.42 111.134 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.51 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.51 -25.98 26.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 50.33 110.955 179.894 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.0 t -89.51 -19.76 24.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.17 -0.468 . . . . 74.23 111.157 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 16.0 t -86.35 -67.88 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.444 . . . . 74.12 110.866 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.0 m -128.56 139.8 52.11 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 55.23 111.184 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.5 102.42 11.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.848 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.433 HG22 HG23 ' A' ' 71' ' ' VAL . 58.5 m -141.16 122.45 14.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.474 . . . . 45.32 111.145 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.575 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -115.5 137.37 49.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 74.11 111.119 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -128.25 124.87 37.7 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.168 -0.469 . . . . 62.34 111.119 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.58 HD22 ' HB2' ' A' ' 21' ' ' ALA . 1.7 tt -95.77 135.43 37.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.266 -0.424 . . . . 62.03 110.894 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.73 HG21 ' CG1' ' A' ' 86' ' ' VAL . 94.4 t -95.76 130.75 44.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.129 -0.487 . . . . 73.52 111.143 179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.46 58.71 10.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.766 -0.731 . . . . 70.41 112.46 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.58 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.58 105.61 17.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.815 0.341 . . . . 73.45 111.095 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 t -112.53 -169.22 1.43 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.858 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -97.45 46.62 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.092 -0.504 . . . . 71.52 110.87 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 26.3 mmtp -109.74 83.87 2.99 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.566 0.698 . . . . 74.22 110.88 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -6.24 18.11 Favored 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.69 2.26 . . . . 74.52 112.336 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -97.91 22.69 8.92 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.23 -0.441 . . . . 61.1 110.877 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 mpt_? -130.3 160.42 65.79 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.589 0.709 . . . . 65.33 110.853 -179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -13.99 35.4 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.722 2.281 . . . . 50.52 112.291 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 m -77.03 -25.65 52.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 54.42 110.851 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.498 ' OH ' HD11 ' A' ' 56' ' ' LEU . 1.7 t80 -88.76 -46.11 9.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.495 . . . . 75.34 110.958 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -53.71 -35.27 60.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.133 -0.485 . . . . 72.33 110.909 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.721 HG21 ' CD2' ' A' ' 77' ' ' PHE . 26.7 m -77.11 -28.7 16.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 64.42 111.105 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 33.4 ttp -66.0 -64.73 0.79 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -61.0 -24.03 65.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 73.21 110.901 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -65.96 -50.51 64.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 70.21 110.936 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.575 HD13 HG21 ' A' ' 16' ' ' ILE . 91.4 mt -69.75 -29.51 66.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.493 . . . . 60.11 110.934 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.648 ' HG ' HG21 ' A' ' 43' ' ' VAL . 12.6 mt -66.32 -46.75 75.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 74.11 110.904 179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -63.72 -41.51 98.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 51.44 110.857 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 83.9 mm-40 -56.57 -24.81 49.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 70.53 110.936 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 99.79 38.63 3.59 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.74 -0.743 . . . . 74.2 112.475 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.545 ' HB3' HD13 ' A' ' 16' ' ' ILE . 53.7 m-85 -116.12 154.64 29.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.886 0.374 . . . . 73.34 110.902 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -73.53 117.09 14.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.122 -0.49 . . . . 73.12 110.867 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.757 HG12 ' HD3' ' A' ' 45' ' ' PRO . 95.6 t -110.07 132.49 58.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 70.11 111.1 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 50.2 mt -127.21 79.74 72.67 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.632 0.73 . . . . 74.1 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.757 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.0 Cg_endo -69.72 112.78 3.16 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 71.42 112.41 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.401 HG13 ' O ' ' A' ' 61' ' ' TYR . 48.3 t -105.71 122.09 58.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 70.34 111.14 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.561 ' CB ' HG22 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -146.85 151.96 43.21 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.736 0.779 . . . . 61.55 110.833 -179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 -11.38 30.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.707 2.272 . . . . 61.43 112.326 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -106.41 -27.87 10.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 71.03 110.868 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.561 HG22 ' CB ' ' A' ' 47' ' ' SER . 14.1 m -86.91 8.35 2.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 74.3 111.104 179.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.61 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -68.72 83.63 0.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.12 111.135 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 126.09 5.3 6.27 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.778 -0.725 . . . . 72.53 112.505 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 7.4 ptmt -123.19 177.48 5.54 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.896 0.379 . . . . 75.45 110.848 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.12 104.31 8.78 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.195 -0.457 . . . . 72.0 111.086 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 12.7 tp -89.34 118.11 28.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.498 HD11 ' OH ' ' A' ' 30' ' ' TYR . 6.9 mp 58.77 22.22 9.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.465 . . . . 52.34 110.912 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.05 -7.09 69.59 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.712 -0.756 . . . . 75.44 112.439 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 38.2 mm-40 -94.91 129.18 42.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.733 0.301 . . . . 74.22 110.936 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -62.03 130.16 44.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 55.22 110.925 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -88.56 167.6 35.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 75.33 112.525 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' VAL . 14.6 m-85 -152.93 137.65 16.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.925 0.393 . . . . 61.53 110.902 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.61 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -59.18 -25.91 64.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.108 -0.496 . . . . 75.14 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 7.7 t -170.19 156.77 6.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 72.41 111.166 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.145 HD13 HD13 ' A' ' 93' ' ' ILE . 4.0 pp -64.47 -15.47 60.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.891 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.86 14.2 20.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 34.3 111.126 179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -114.72 -21.19 10.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.464 . . . . 73.14 110.853 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.435 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -91.66 132.98 31.81 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.598 0.713 . . . . 74.43 111.128 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.435 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.4 Cg_endo -69.78 -42.31 3.49 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.658 2.239 . . . . 75.42 112.381 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 11.7 tp10 -53.89 146.13 14.76 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.87 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -100.42 126.06 46.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 72.52 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.543 HG21 ' CB ' ' A' ' 17' ' ' ALA . 9.8 p -82.13 140.64 16.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.444 . . . . 52.1 111.177 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -97.8 -26.85 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 73.41 110.896 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.438 ' HE2' ' HB2' ' A' ' 99' ' ' TRP . 7.8 tpt -134.79 132.21 38.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 74.32 110.855 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 64.2 t -112.8 111.85 37.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 75.11 111.118 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -93.38 124.35 37.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 75.22 110.869 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.3 t -117.71 102.66 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 53.33 111.123 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.721 ' CD2' HG21 ' A' ' 32' ' ' VAL . 80.7 m-85 -120.09 -1.27 10.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 74.43 110.902 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.0 -73.56 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 71.0 110.912 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -156.07 177.97 10.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 72.51 110.905 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.2 t -75.08 -54.51 7.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 75.32 110.891 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.8 mm-40 -64.12 -28.01 69.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 72.11 110.89 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.577 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.42 -24.95 64.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 42.21 111.141 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.55 -30.26 19.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 44.13 111.11 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.588 ' CE3' HD12 ' A' ' 112' ' ' LEU . 58.0 t-105 -72.15 -54.59 9.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 73.41 110.89 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.67 -36.65 86.89 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.761 . . . . 61.34 112.532 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.73 ' CG1' HG21 ' A' ' 19' ' ' VAL . 20.8 t -75.27 -34.87 32.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 43.22 111.12 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -63.31 -55.23 26.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.11 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 -51.94 -45.28 64.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 75.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -57.73 -44.68 86.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.209 -0.451 . . . . 72.24 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -60.56 -38.59 85.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 42.33 111.058 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.763 HD12 HD22 ' A' ' 112' ' ' LEU . 45.6 mt -69.65 -37.99 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 75.35 111.12 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -58.76 -51.26 70.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 43.24 111.117 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.145 HD13 HD13 ' A' ' 64' ' ' LEU . 37.4 pt -73.7 -29.32 26.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 75.04 111.077 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 96.42 57.8 1.1 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 40.4 112.497 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.649 ' HB3' HD21 ' A' ' 118' ' ' LEU . . . -63.22 -170.71 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.904 0.383 . . . . 72.41 111.093 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.4 mmmt -123.11 -35.25 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.893 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.9 m -150.84 158.27 43.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 72.11 111.118 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 28.9 tp -140.97 134.13 29.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 54.33 110.92 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.486 ' CH2' HG11 ' A' ' 121' ' ' VAL . 5.0 t-105 -129.16 143.22 50.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.152 -0.476 . . . . 75.14 110.911 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.685 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.8 mt -121.6 -173.7 2.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.269 -0.423 . . . . 72.33 110.901 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.726 ' O ' HG12 ' A' ' 104' ' ' VAL . 10.2 tp60 -79.17 157.89 27.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.458 . . . . 75.03 110.895 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.572 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.26 133.21 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 64.14 110.955 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 98.53 -14.9 61.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 61.03 112.465 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.726 HG12 ' O ' ' A' ' 101' ' ' GLN . 8.7 p -90.61 148.65 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.83 0.348 . . . . 64.13 111.134 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.34 107.61 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 73.03 111.131 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.538 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 18.2 t-20 -115.93 91.0 3.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.475 . . . . 54.21 110.879 179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.73 ' O ' HG23 ' A' ' 111' ' ' VAL . 46.1 tt0 -51.62 -37.68 51.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.21 110.922 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -65.84 -52.75 47.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 72.32 110.927 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.538 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -55.47 -27.1 46.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 73.43 111.126 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -76.64 -38.44 54.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 75.41 111.066 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.73 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.8 t -66.27 -43.63 91.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 74.01 111.16 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.763 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.63 -52.31 48.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 73.34 110.917 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -67.51 -29.14 68.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.43 111.095 179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.62 -33.61 75.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 63.35 110.923 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -64.68 -48.73 73.66 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 75.33 110.854 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.541 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -78.28 -24.23 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 60.1 111.075 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 97.2 12.13 49.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 62.52 112.474 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.649 HD21 ' HB3' ' A' ' 95' ' ' ALA . 0.7 OUTLIER -70.38 159.66 33.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.853 0.358 . . . . 73.43 110.86 -179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 45.1 t -92.26 96.86 10.53 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.153 -0.476 . . . . 75.23 110.824 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.6 p -97.0 122.6 48.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 63.15 111.125 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.486 HG11 ' CH2' ' A' ' 99' ' ' TRP . 39.3 t -124.58 105.78 15.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.153 -0.476 . . . . 52.53 111.111 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.685 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.1 OUTLIER -109.6 -177.93 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.123 -0.489 . . . . 63.43 110.921 179.859 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.6 t70 51.91 36.25 17.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 62.33 110.878 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.572 ' HA ' HD12 ' A' ' 102' ' ' LEU . 23.0 mtt180 -146.81 138.46 24.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.239 -0.437 . . . . 73.25 110.905 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.487 ' SG ' HD22 ' A' ' 102' ' ' LEU . 7.0 p -117.24 117.98 36.17 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.57 0.7 . . . . 73.32 110.945 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HA ' ' HB2' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.69 -17.54 37.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.681 2.254 . . . . 61.21 112.35 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -67.0 -38.77 86.62 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 71.33 111.115 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 3.9 mm -98.76 -18.47 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 72.44 111.205 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.416 ' HB2' ' HA ' ' A' ' 126' ' ' PRO . 3.5 mm-40 -75.42 -32.7 60.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 75.02 110.929 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.65 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.3 tp -64.49 -57.32 17.57 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.634 0.731 . . . . 63.55 110.93 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.7 Cg_endo -69.71 -6.7 19.21 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.694 2.263 . . . . 72.35 112.36 179.842 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 -51.86 -29.77 21.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.454 . . . . 75.24 110.85 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.47 -30.16 20.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 64.13 110.917 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 99.33 38.98 3.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 63.13 112.508 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.3 mp -116.08 -32.56 5.33 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.842 0.353 . . . . 75.13 110.925 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.65 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -57.28 161.87 3.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.179 -0.464 . . . . 70.33 111.122 179.815 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp . . . . . 0 C--N 1.328 -0.364 0 CA-C-N 116.229 -0.441 . . . . 73.35 110.914 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.4 mtt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.846 0.355 . . . . 63.41 110.852 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.9 139.77 52.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 71.43 110.903 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.6 tt0 -111.92 71.81 0.76 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.273 -0.421 . . . . 45.11 110.888 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.4 m-80 -139.52 -178.98 5.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.484 . . . . 75.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -108.54 -19.89 13.29 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 61.42 110.852 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 13.1 pt -52.03 -27.72 9.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 70.05 111.101 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.81 -37.0 65.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 63.21 111.078 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.539 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.95 -32.42 49.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.726 -0.75 . . . . 74.2 112.498 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.7 mp -75.91 -35.07 28.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.88 0.372 . . . . 71.33 111.165 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.51 -30.05 37.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 64.52 110.921 179.905 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.539 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -83.42 -24.49 31.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 72.52 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 43.0 t -82.1 -65.54 1.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 65.44 110.824 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.2 t -128.26 141.92 51.31 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.131 -0.486 . . . . 73.4 111.137 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -116.63 104.33 11.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 75.01 110.86 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.4 m -139.17 128.86 24.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 74.23 111.159 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.923 HG21 HD13 ' A' ' 36' ' ' LEU . 5.2 mp -116.95 131.8 68.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 61.55 111.112 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -123.31 141.52 51.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.32 111.138 179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 19' ' ' VAL . 15.1 tp -114.55 134.6 54.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 75.32 110.899 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.469 ' N ' HD12 ' A' ' 18' ' ' LEU . 29.9 t -103.58 132.28 50.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.152 -0.476 . . . . 52.51 111.127 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 68.48 49.36 45.09 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.728 -0.749 . . . . 73.34 112.486 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.413 ' HB2' ' HG ' ' A' ' 18' ' ' LEU . . . -85.13 143.37 28.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.814 0.34 . . . . 31.43 111.074 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -150.23 -176.63 5.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.459 . . . . 52.23 110.884 -179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -92.15 43.23 1.13 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.15 -0.477 . . . . 73.13 110.898 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 46.7 mmtt -107.67 91.71 7.72 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.531 0.681 . . . . 73.35 110.922 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -7.42 21.01 Favored 'Trans proline' 0 C--O 1.231 0.14 0 C-N-CA 122.705 2.27 . . . . 62.42 112.325 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -100.25 23.57 9.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 64.14 110.847 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.7 mtp85 -120.72 156.9 55.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.594 0.712 . . . . 73.23 110.891 -179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.498 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 54.2 Cg_endo -69.7 -23.94 30.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.267 . . . . 74.13 112.395 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.5 m -77.21 -19.41 56.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 72.31 110.887 -179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -85.97 -48.95 8.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.093 -0.503 . . . . 51.53 110.922 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.498 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 1.6 ptp85 -53.2 -36.89 61.46 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 72.41 110.9 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.545 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 48.7 t -76.6 -33.47 22.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 54.21 111.126 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.533 ' SD ' HG11 ' A' ' 43' ' ' VAL . 0.0 OUTLIER -59.73 -64.82 0.81 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.15 -0.477 . . . . 72.2 110.873 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.24 -26.39 64.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 60.24 110.845 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -64.7 -45.74 85.32 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.267 -0.424 . . . . 75.23 110.896 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.923 HD13 HG21 ' A' ' 16' ' ' ILE . 60.4 mt -72.62 -31.33 65.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 63.3 110.94 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.5 mt -70.06 -46.65 64.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 73.34 110.943 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -65.4 -33.91 77.06 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 70.14 110.874 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 62.2 mm-40 -66.1 -25.34 66.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 62.33 110.91 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 102.86 47.85 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 74.12 112.489 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.606 ' HB3' HD13 ' A' ' 16' ' ' ILE . 62.3 m-85 -121.25 -176.7 3.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.906 0.384 . . . . 74.21 110.948 -179.831 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -108.35 110.39 21.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 71.23 110.858 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.748 HG12 ' HD3' ' A' ' 45' ' ' PRO . 47.5 t -104.37 131.83 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.196 -0.456 . . . . 55.12 111.129 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -128.47 77.84 76.64 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.637 0.732 . . . . 72.5 111.124 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.748 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.7 135.85 31.66 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.691 2.261 . . . . 74.24 112.361 179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.0 t -130.87 122.02 51.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.244 -0.435 . . . . 74.24 111.071 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.82 151.71 42.77 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.648 0.737 . . . . 73.4 110.858 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -8.97 24.96 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.684 2.256 . . . . 71.42 112.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.1 mttp -106.39 -32.79 7.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.271 -0.422 . . . . 73.12 110.905 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 12.1 m -78.73 -4.0 6.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.225 -0.443 . . . . 72.34 111.125 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.577 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -59.78 96.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.086 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 108.67 17.45 10.44 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.759 -0.734 . . . . 51.34 112.462 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.0 mtmt -136.87 163.72 30.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.852 0.358 . . . . 73.33 110.916 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.46 HG23 ' HA ' ' A' ' 59' ' ' GLN . 0.0 OUTLIER -127.57 108.94 11.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 62.33 111.127 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -110.35 135.52 50.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 74.2 110.909 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.4 mt 59.23 20.39 8.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 43.53 110.863 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 86.22 3.75 84.53 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.761 -0.733 . . . . 73.14 112.439 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.6 mm-40 -104.56 135.55 45.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.767 0.318 . . . . 73.22 110.918 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . 0.46 ' HA ' HG23 ' A' ' 54' ' ' THR . 21.6 tp60 -73.82 140.86 46.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 75.34 110.921 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -97.3 153.33 20.21 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.749 -0.738 . . . . 75.53 112.461 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -139.86 138.16 35.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 70.22 110.971 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.577 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -66.44 -31.75 72.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 31.44 111.081 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 37.4 p -147.95 150.63 34.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 64.24 111.162 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.036 HD13 HD13 ' A' ' 93' ' ' ILE . 4.2 pp -67.55 -15.11 63.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 74.44 110.919 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -93.58 11.68 27.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 73.44 111.114 179.78 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.44 -22.71 11.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 62.41 110.844 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.428 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -77.49 133.24 67.65 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.602 0.715 . . . . 54.55 111.157 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.428 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.77 -42.11 3.68 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.671 2.247 . . . . 72.1 112.367 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -68.09 118.78 11.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.237 -0.438 . . . . 74.31 110.942 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.69 137.58 47.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 71.33 110.885 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 64.5 t -88.45 144.94 8.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 75.11 111.168 179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -112.17 -24.74 9.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 54.44 110.85 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 1.4 ttt -141.81 111.92 6.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 61.14 110.866 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 21.9 t -97.99 121.7 48.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 73.33 111.101 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' OD2' HG23 ' A' ' 16' ' ' ILE . 14.5 m-20 -107.06 130.38 54.68 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 53.34 110.901 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 23.4 t -109.36 117.0 53.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 45.25 111.149 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.545 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 9.2 m-85 -115.36 -20.46 10.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 74.12 110.846 -179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 44.0 mtp180 -51.53 -67.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.466 . . . . 74.25 110.857 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 -168.06 177.18 5.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 52.35 110.88 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 88.5 p -74.9 -46.63 34.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 70.51 110.846 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -54.5 -31.71 56.55 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.092 -0.504 . . . . 74.31 110.898 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -69.72 -27.92 65.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.487 . . . . 75.52 111.09 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.85 -38.88 57.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 70.45 111.102 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 40.9 t-105 -66.78 -54.44 22.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 74.1 110.913 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.34 -40.24 93.81 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.762 -0.733 . . . . 64.34 112.433 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 82' ' ' ALA . 60.8 t -73.62 -37.47 49.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.852 0.358 . . . . 72.15 111.121 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.424 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -57.73 -55.85 29.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 64.13 111.156 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -56.16 -42.47 77.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 73.11 110.891 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -64.49 -45.88 85.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 60.23 110.909 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.821 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -60.01 -50.14 74.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.485 . . . . 41.52 111.127 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.6 mt -61.21 -26.09 38.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 61.24 111.113 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -70.41 -48.53 55.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 52.33 111.114 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.036 HD13 HD13 ' A' ' 64' ' ' LEU . 48.7 pt -74.48 -25.54 19.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 73.51 111.161 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.78 51.87 0.56 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.781 -0.723 . . . . 72.21 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.821 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.76 -178.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.88 0.371 . . . . 54.21 111.085 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.8 mtpp -135.59 -41.52 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 71.11 110.898 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -138.92 158.18 44.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 75.04 111.125 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 20.3 tp -140.37 129.71 23.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.54 110.914 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.587 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.2 t-105 -127.69 129.33 46.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.972 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.688 HD12 ' HB3' ' A' ' 122' ' ' MET . 47.2 mt -105.53 -172.5 2.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.196 -0.456 . . . . 64.32 110.917 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -90.3 149.6 22.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.235 -0.439 . . . . 72.41 110.859 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.801 HD13 ' HB2' ' A' ' 125' ' ' CYS . 2.1 tp -56.78 141.86 42.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 75.14 110.93 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 73.3 26.25 70.89 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.733 -0.746 . . . . 72.12 112.496 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 94.7 t -122.38 130.48 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.775 0.322 . . . . 72.01 111.143 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.4 mt -136.48 107.52 6.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 75.41 111.115 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 7.1 m-20 -117.08 89.68 3.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 54.52 110.882 179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -53.23 -28.71 28.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 71.03 110.902 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -74.7 -49.48 21.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 65.23 110.913 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.58 -25.4 64.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 43.52 111.108 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.676 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -72.53 -52.07 17.23 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.219 -0.446 . . . . 74.31 111.087 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -69.53 -33.07 55.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.444 . . . . 63.41 111.15 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.424 HD23 ' HB3' ' A' ' 87' ' ' ALA . 20.8 tp -54.62 -28.18 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.889 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.629 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.39 -39.9 14.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 53.43 111.14 179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 34.1 mtt85 -53.96 -39.17 65.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 63.11 110.901 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 72.0 mm-40 -53.58 -29.26 36.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 71.22 110.885 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.03 -24.12 14.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 53.34 111.081 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.98 -8.4 36.25 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.736 -0.745 . . . . 34.53 112.474 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.629 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.8 151.08 3.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.815 0.34 . . . . 74.25 110.896 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.8 m -90.22 100.05 12.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 71.31 110.866 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.676 HG21 ' HA ' ' A' ' 110' ' ' ALA . 12.3 p -91.72 132.1 37.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.484 . . . . 64.34 111.128 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.587 HG11 ' CH2' ' A' ' 99' ' ' TRP . 38.7 t -139.0 108.46 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 55.32 111.112 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.688 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -111.53 172.88 6.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.871 179.887 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 5.2 t70 56.35 36.0 26.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.872 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.437 ' CA ' HD12 ' A' ' 102' ' ' LEU . 23.6 mmt180 -147.91 137.46 22.41 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 75.34 110.827 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.801 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -126.07 136.16 28.11 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.7 . . . . 54.34 110.886 -179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -22.64 32.15 Favored 'Trans proline' 0 C--O 1.231 0.137 0 C-N-CA 122.706 2.271 . . . . 64.01 112.366 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.8 -40.57 88.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 51.34 111.108 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 32.6 mt -98.75 -19.09 6.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 73.11 111.112 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -73.39 -29.1 62.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 75.14 110.869 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.579 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.1 tp -68.78 -57.66 7.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.672 0.749 . . . . 75.41 110.941 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.7 -6.98 19.86 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.722 2.281 . . . . 72.23 112.385 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.712 ' CG ' HD12 ' A' ' 133' ' ' LEU . 11.1 ptt180 -51.65 -29.85 19.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 63.13 110.876 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.712 HD12 ' CG ' ' A' ' 132' ' ' ARG . 2.3 mp -96.2 -30.44 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 73.43 110.888 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 101.28 45.24 1.88 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.729 -0.748 . . . . 43.5 112.469 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 8.1 mp -116.21 -25.41 7.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.879 0.371 . . . . 63.24 110.954 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.579 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.92 138.29 24.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 61.42 111.073 179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 71.04 110.856 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 20.2 mtt . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.83 0.347 . . . . 73.32 110.857 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -106.24 97.26 7.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.911 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -71.89 83.27 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 73.43 110.894 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.8 p30 -92.84 170.56 9.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.01 110.876 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.42 ' O ' HD12 ' A' ' 9' ' ' ILE . 4.1 m-20 -90.41 -169.95 2.57 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.151 -0.477 . . . . 64.42 110.914 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.6 pt -53.21 -27.33 13.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 74.14 111.158 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.515 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.78 -36.25 64.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 41.15 111.14 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.54 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.36 -34.69 44.74 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.709 -0.757 . . . . 50.12 112.479 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.42 HD12 ' O ' ' A' ' 5' ' ' ASP . 4.2 mp -75.85 -30.05 20.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.862 0.363 . . . . 74.13 111.132 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.515 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.21 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 72.22 110.918 179.917 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.54 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -89.28 -20.9 23.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.177 -0.465 . . . . 75.5 111.118 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 35.8 t -84.48 -67.69 0.78 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.44 110.873 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 4.5 m -128.47 144.69 51.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.112 -0.495 . . . . 74.43 111.183 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -114.05 103.58 11.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.235 -0.439 . . . . 73.23 110.878 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.584 HG22 HG23 ' A' ' 71' ' ' VAL . 87.7 m -139.88 143.54 36.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 63.01 111.15 -179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.549 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.49 132.86 67.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 72.14 111.135 179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.802 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -116.66 136.72 52.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 72.31 111.14 179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.874 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.6 tp -117.64 134.48 54.84 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.438 . . . . 73.41 110.906 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.401 HG21 ' CG1' ' A' ' 86' ' ' VAL . 33.0 t -107.64 120.63 59.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 64.11 111.123 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 84.72 66.18 1.47 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.777 -0.725 . . . . 70.3 112.499 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.874 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -104.21 88.06 2.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.786 0.327 . . . . 75.42 111.074 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.1 m -98.53 -169.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.452 . . . . 65.23 110.876 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -92.72 43.27 1.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.478 . . . . 74.24 110.881 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 42.0 mmtt -109.78 83.59 2.87 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.595 0.712 . . . . 72.52 110.883 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -6.26 18.15 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.664 2.243 . . . . 72.22 112.377 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.7 t70 -97.91 24.81 6.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.836 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.0 mmt180 -128.88 160.1 65.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.584 0.707 . . . . 72.01 110.872 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -16.52 37.5 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 44.21 112.337 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -76.71 -26.74 55.01 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 71.44 110.895 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -87.62 -47.96 8.28 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.086 -0.506 . . . . 71.21 110.953 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -53.66 -33.76 56.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.862 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.738 HG21 ' CZ ' ' A' ' 77' ' ' PHE . 12.2 p -77.24 -32.22 18.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.471 . . . . 61.02 111.134 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 34.0 ttp -62.71 -62.63 1.6 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 61.14 110.895 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 7.9 ttmm -61.98 -25.94 67.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 62.51 110.861 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -62.43 -50.85 69.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.263 -0.426 . . . . 74.42 110.943 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.549 ' CD1' HG21 ' A' ' 16' ' ' ILE . 93.0 mt -67.17 -41.22 86.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.097 -0.501 . . . . 72.35 110.952 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.505 ' HG ' HG21 ' A' ' 43' ' ' VAL . 21.5 mt -63.63 -46.75 84.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.148 -0.478 . . . . 73.11 110.948 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -61.23 -55.08 36.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 74.31 110.895 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.634 HE22 ' HB1' ' A' ' 136' ' ' ALA . 0.5 OUTLIER -56.64 -25.15 52.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.907 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.76 69.04 0.75 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 75.51 112.494 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 58.0 m-85 -140.92 165.02 28.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.377 . . . . 75.14 110.927 -179.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.9 m80 -91.54 115.47 28.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.085 -0.507 . . . . 74.42 110.893 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.66 HG12 ' HD3' ' A' ' 45' ' ' PRO . 22.0 t -112.31 138.04 42.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.33 111.151 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.8 mt -130.75 75.75 78.3 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.576 0.703 . . . . 73.31 111.157 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.66 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.9 Cg_endo -69.68 137.9 36.81 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.705 2.27 . . . . 65.45 112.394 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.7 t -133.43 122.4 44.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.427 . . . . 62.23 111.151 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.43 152.31 45.63 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.671 0.748 . . . . 53.32 110.85 -179.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 -8.6 24.01 Favored 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.686 2.257 . . . . 75.01 112.359 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.96 -33.29 7.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 74.53 110.902 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.1 m -79.94 -5.32 8.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 71.02 111.168 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.544 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.41 100.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 73.41 111.127 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 100.9 19.66 16.61 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.718 -0.753 . . . . 51.14 112.475 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -130.73 177.72 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.807 0.337 . . . . 73.41 110.925 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -124.6 123.68 40.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 71.02 111.19 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 3.6 mt -114.49 108.83 17.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.25 -0.432 . . . . 54.42 110.958 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mp 59.0 21.84 9.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.234 -0.439 . . . . 60.25 110.934 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 99.33 1.35 56.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.779 -0.724 . . . . 43.43 112.525 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.424 ' OE1' HD11 ' A' ' 37' ' ' LEU . 6.6 mp0 -97.08 135.66 38.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 75.14 110.888 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 18.4 tp60 -73.28 119.08 17.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.03 110.913 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.37 163.35 52.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.715 -0.755 . . . . 75.42 112.54 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -154.71 136.53 14.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.942 0.401 . . . . 74.52 110.886 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.544 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.17 -26.17 66.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.098 -0.501 . . . . 62.12 111.137 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 4.2 t -162.44 153.39 17.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 75.52 111.179 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.949 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -64.7 -15.41 61.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 60.04 110.879 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -91.21 12.4 20.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 44.54 111.097 179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t0 -113.64 -19.92 11.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 71.34 110.881 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.43 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.3 p -84.55 133.24 44.71 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.631 0.729 . . . . 73.13 111.173 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.43 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.77 -42.07 3.71 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.653 2.236 . . . . 71.05 112.387 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.5 tt0 -65.07 143.8 57.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 64.31 110.863 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 53.2 mttt -101.71 127.14 48.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.476 . . . . 61.34 110.86 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.802 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.3 p -80.17 144.45 10.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.202 -0.454 . . . . 73.24 111.146 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.7 -30.2 13.87 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.879 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 6.6 ttp -139.72 118.76 12.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 63.51 110.914 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.546 HG22 HG11 ' A' ' 71' ' ' VAL . 87.9 t -100.4 123.42 53.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 61.34 111.104 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.413 ' OD2' HG23 ' A' ' 16' ' ' ILE . 24.7 m-20 -106.0 141.06 38.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 73.5 110.867 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.3 t -122.06 116.61 49.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 72.05 111.121 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.738 ' CZ ' HG21 ' A' ' 32' ' ' VAL . 32.0 m-85 -119.69 -9.81 9.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.148 -0.478 . . . . 60.32 110.858 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 55.7 mtp85 -51.66 -64.41 0.82 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.165 -0.471 . . . . 64.14 110.852 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -176.17 176.84 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 75.15 110.869 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 16.3 p -66.92 -55.76 13.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.181 -0.463 . . . . 62.12 110.855 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -57.05 -27.8 62.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 74.34 110.854 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.465 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -70.56 -34.56 72.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.22 111.081 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.82 -36.4 47.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.0 111.114 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 28.1 t-105 -68.49 -53.45 23.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 75.5 110.93 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.97 -33.01 84.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.688 -0.768 . . . . 64.32 112.515 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 82' ' ' ALA . 86.0 t -79.36 -36.65 18.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.847 0.356 . . . . 71.24 111.144 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -61.97 -49.17 77.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 51.2 111.107 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -57.89 -43.36 86.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 75.24 110.878 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -62.76 -47.34 83.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 73.3 110.874 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.74 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -59.19 -50.23 74.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.15 -0.477 . . . . 74.34 111.11 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 22.1 mt -61.71 -28.02 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.446 . . . . 74.32 111.083 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -66.75 -50.78 61.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 71.4 111.066 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.949 HD13 HD12 ' A' ' 64' ' ' LEU . 48.8 pt -72.47 -25.54 23.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 75.25 111.157 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 111.89 52.67 0.53 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 71.11 112.447 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.74 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.27 -176.35 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.824 0.345 . . . . 63.21 111.089 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 26.7 mtpp -134.51 -41.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.33 110.867 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -140.55 158.23 44.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 73.2 111.144 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.622 HD23 HG23 ' A' ' 120' ' ' VAL . 7.3 tp -139.91 134.08 31.1 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.42 110.943 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.497 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -130.92 138.09 49.61 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.216 -0.447 . . . . 71.22 110.924 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.699 HD12 ' CB ' ' A' ' 122' ' ' MET . 29.6 mt -115.48 -169.55 1.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 60.23 110.887 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 4.8 mm-40 -83.93 145.17 28.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 73.15 110.886 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -70.61 132.53 45.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 50.52 110.934 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 99.39 -20.21 50.7 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.707 -0.758 . . . . 63.43 112.465 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 21.7 t -96.13 146.55 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 62.53 111.118 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.1 mt -131.86 118.14 36.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 63.12 111.143 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -118.59 95.66 4.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.155 -0.475 . . . . 72.51 110.93 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.05 -34.72 79.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 62.55 110.855 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -67.91 -49.04 64.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 74.15 110.912 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.33 -25.32 63.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 54.11 111.071 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.77 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -70.51 -52.14 23.98 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.26 -0.427 . . . . 65.53 111.111 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.41 -32.88 54.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 72.04 111.115 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 22.0 tp -54.66 -27.81 42.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 64.0 110.923 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.4 -35.09 18.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.15 111.04 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.33 -35.78 80.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.245 -0.434 . . . . 61.21 110.85 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -55.74 -26.66 46.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.902 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -104.89 -24.12 12.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.148 -0.478 . . . . 74.53 111.098 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 109.7 -11.72 32.63 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.713 -0.756 . . . . 74.12 112.523 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.639 HD11 ' C ' ' A' ' 95' ' ' ALA . 3.2 tp -51.62 150.42 3.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.828 0.347 . . . . 74.32 110.88 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.8 t -88.21 99.88 12.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.16 -0.473 . . . . 52.14 110.866 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.77 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.3 p -92.7 133.53 33.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.153 -0.476 . . . . 74.25 111.108 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.497 HG11 ' CH2' ' A' ' 99' ' ' TRP . 35.6 t -139.11 105.87 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 74.53 111.125 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.699 ' CB ' HD12 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -108.48 -178.21 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 74.11 110.899 179.903 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 51.2 t0 52.07 35.37 16.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.217 -0.447 . . . . 54.12 110.874 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.534 ' HA ' HD12 ' A' ' 102' ' ' LEU . 0.9 OUTLIER -151.63 135.93 16.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 72.11 110.922 -179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 8.7 t -132.93 129.01 20.95 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.626 0.727 . . . . 72.53 110.884 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.407 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.7 Cg_endo -69.7 -14.56 36.47 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.728 2.286 . . . . 64.44 112.331 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.19 -45.93 91.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.188 -0.46 . . . . 74.02 111.11 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 46.2 mt -98.24 -20.44 5.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 62.2 111.157 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.407 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 45.9 tt0 -71.73 -45.47 61.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 70.22 110.871 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.547 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.5 tp -51.56 -57.16 15.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.581 0.705 . . . . 74.41 110.917 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.547 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.76 -4.54 14.23 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.7 2.267 . . . . 74.14 112.342 179.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.432 ' HG3' HD12 ' A' ' 133' ' ' LEU . 0.9 OUTLIER -79.89 -35.89 37.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.44 110.883 -179.98 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.432 HD12 ' HG3' ' A' ' 132' ' ' ARG . 0.1 OUTLIER -113.78 -30.75 6.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.189 -0.459 . . . . 74.22 110.878 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -96.02 -23.09 18.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.71 -0.757 . . . . 74.12 112.462 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 64.77 25.53 12.96 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 61.33 110.885 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.634 ' HB1' HE22 ' A' ' 39' ' ' GLN . . . -50.68 168.52 0.05 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 64.32 111.121 179.776 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 42.0 mtpt . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 75.01 110.875 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mtt . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.837 0.351 . . . . 61.15 110.882 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -115.76 161.21 19.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.845 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 33.5 mm-40 -154.67 177.71 10.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 61.21 110.929 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -169.27 179.05 4.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.168 -0.469 . . . . 60.41 110.877 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -92.06 -25.07 18.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 74.35 110.823 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.441 ' HA ' HD13 ' A' ' 9' ' ' ILE . 8.1 pt -53.41 -27.47 14.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.222 -0.445 . . . . 74.15 111.128 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.473 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -35.47 64.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 50.44 111.116 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.566 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -31.53 54.15 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 72.44 112.497 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.441 HD13 ' HA ' ' A' ' 6' ' ' ILE . 4.1 mp -75.82 -30.29 21.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.35 . . . . 71.25 111.157 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.473 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.26 -28.06 25.59 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.933 179.849 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.566 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.9 t -86.42 -22.32 26.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 74.22 111.139 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.8 t -88.7 -68.34 0.77 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.229 -0.441 . . . . 72.14 110.817 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 96.7 m -128.34 113.76 16.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 72.34 111.111 -179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -92.33 104.27 16.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 64.1 110.83 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 98.8 m -139.25 143.42 37.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.35 111.139 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.708 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -128.73 138.4 54.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.237 -0.438 . . . . 74.23 111.171 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -123.66 119.5 30.01 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 72.14 111.108 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.51 130.4 36.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 75.24 110.907 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 91.2 t -104.73 126.7 59.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 73.02 111.141 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 80.97 30.4 38.57 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.711 -0.756 . . . . 70.53 112.488 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.51 108.27 3.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.809 0.338 . . . . 71.05 111.064 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.6 t -118.34 -169.39 1.69 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 70.45 110.847 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -93.18 43.46 1.12 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 61.01 110.877 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.3 mmtt -109.85 83.5 2.87 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.571 0.7 . . . . 70.51 110.885 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.701 2.267 . . . . 63.34 112.361 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -100.04 24.06 9.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.11 110.843 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -127.2 160.08 61.7 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.622 0.725 . . . . 60.3 110.882 -179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.594 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.3 Cg_endo -69.73 -16.15 37.56 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 62.02 112.345 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.0 t -77.23 -26.27 52.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 64.43 110.853 -179.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -87.48 -46.15 9.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 72.43 110.958 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.414 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 6.1 ptp180 -53.35 -32.57 49.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.102 -0.499 . . . . 71.31 110.875 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.78 HG11 ' CE2' ' A' ' 77' ' ' PHE . 96.7 t -77.0 -39.59 29.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 64.14 111.08 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.426 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.0 ttm -55.33 -60.75 2.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.444 . . . . 65.44 110.921 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 69.0 tttt -64.37 -22.4 66.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.277 -0.419 . . . . 74.24 110.918 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -71.21 -47.21 58.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.44 . . . . 75.24 110.936 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.708 ' CD1' HG21 ' A' ' 16' ' ' ILE . 74.4 mt -70.49 -30.03 66.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.129 -0.487 . . . . 63.13 110.889 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.725 HD12 HD13 ' A' ' 56' ' ' LEU . 11.0 mt -67.67 -46.8 71.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 71.04 110.893 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.37 -32.42 72.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 74.03 110.904 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 58.0 mm-40 -63.77 -25.32 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 45.52 110.907 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 32.69 3.61 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.706 -0.759 . . . . 75.12 112.445 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.517 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -110.2 167.62 10.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.954 0.407 . . . . 73.12 110.902 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -99.6 88.88 3.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.119 -0.491 . . . . 54.2 110.88 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.519 HG22 HD21 ' A' ' 37' ' ' LEU . 10.6 m -74.71 145.26 11.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 74.32 111.127 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 30.9 mt -136.32 78.56 44.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.618 0.723 . . . . 71.52 111.132 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 135.9 31.68 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.718 2.279 . . . . 75.41 112.316 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.1 t -129.94 122.26 53.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 64.3 111.124 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.37 152.0 45.13 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.671 0.748 . . . . 71.14 110.858 -179.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.68 -8.68 24.22 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.25 . . . . 61.33 112.367 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.6 tptt -105.43 -34.44 7.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 75.51 110.888 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.632 HG22 ' HA3' ' A' ' 60' ' ' GLY . 7.1 p -77.54 -9.79 12.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 75.43 111.146 179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.592 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -55.21 100.87 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 53.04 111.129 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.64 17.95 15.66 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.741 . . . . 63.21 112.502 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -133.91 177.31 7.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 74.33 110.911 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -119.88 108.24 14.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.23 111.113 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 21.2 tp -104.69 122.86 46.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.258 -0.428 . . . . 70.02 110.953 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.725 HD13 HD12 ' A' ' 37' ' ' LEU . 16.8 mt 58.26 24.22 11.24 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.238 -0.437 . . . . 73.41 110.902 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.17 -3.22 85.63 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 41.11 112.496 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 48.8 mm-40 -98.48 155.81 17.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.763 0.316 . . . . 73.23 110.911 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -76.97 140.24 40.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 74.3 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.632 ' HA3' HG22 ' A' ' 50' ' ' VAL . . . -92.16 156.47 23.54 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.762 -0.732 . . . . 72.44 112.495 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 18.6 m-85 -145.76 135.79 23.66 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.888 0.375 . . . . 74.15 110.945 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.592 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.05 -25.93 66.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.14 111.082 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.9 t -169.52 152.77 4.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 75.22 111.138 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.465 HD12 HG12 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -59.04 -21.47 59.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 71.34 110.875 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -63.47 -17.19 62.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 42.12 111.094 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.65 -31.62 12.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 73.34 110.852 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.437 HG23 ' HA ' ' A' ' 64' ' ' LEU . 90.4 t -50.02 108.33 0.98 Allowed Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.62 0.724 . . . . 64.03 111.109 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -45.24 1.71 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.703 2.269 . . . . 65.43 112.375 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.9 tp10 -69.86 123.58 21.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.17 -0.468 . . . . 73.54 110.879 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -69.09 119.12 12.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.467 . . . . 73.52 110.855 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG22 ' H ' ' A' ' 73' ' ' MET . 8.5 p -75.5 144.58 11.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 62.43 111.104 179.875 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.21 -24.95 17.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 71.31 110.886 179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.521 ' H ' HG22 ' A' ' 71' ' ' VAL . 23.5 ttp -147.65 126.68 12.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 73.42 110.882 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 61.2 t -99.17 118.06 45.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 74.13 111.111 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -94.6 119.75 33.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.844 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.6 t -122.82 114.1 40.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 71.41 111.119 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.78 ' CE2' HG11 ' A' ' 32' ' ' VAL . 50.0 m-85 -131.76 7.4 4.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 71.44 110.854 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.522 HH21 ' HB1' ' A' ' 82' ' ' ALA . 45.1 mtm180 -56.08 -74.5 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 75.14 110.907 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -152.07 179.99 8.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 71.34 110.84 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.2 t -74.96 -54.34 7.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.154 -0.476 . . . . 72.21 110.863 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -63.14 -30.49 71.63 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.12 -0.491 . . . . 73.23 110.87 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.522 ' HB1' HH21 ' A' ' 78' ' ' ARG . . . -62.8 -27.36 69.25 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 63.42 111.037 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.46 -42.4 64.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 64.33 111.11 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 -65.97 -53.73 35.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.237 -0.438 . . . . 55.3 110.969 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -54.97 -38.96 66.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.772 -0.728 . . . . 44.33 112.485 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 90.3 t -77.37 -35.66 22.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.801 0.334 . . . . 62.01 111.113 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.553 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -56.25 -57.81 10.62 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 63.2 111.136 179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -52.76 -43.31 65.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.902 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.462 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.6 mt-10 -62.44 -40.07 95.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.93 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -61.45 -39.93 92.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 74.11 111.104 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.44 HD11 ' HA ' ' A' ' 113' ' ' ALA . 7.6 mt -74.8 -24.24 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 75.43 111.129 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.03 -51.41 39.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.3 111.107 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.465 HG12 HD12 ' A' ' 64' ' ' LEU . 2.5 pp -71.56 -31.09 41.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 64.13 111.133 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 106.45 51.19 0.82 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 64.23 112.445 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.449 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -63.97 -174.87 0.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.831 0.348 . . . . 44.52 111.14 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 14.7 mtmm -126.9 -38.26 2.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 64.43 110.916 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.26 158.34 43.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 70.54 111.174 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 29.1 tp -139.43 126.11 20.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 74.45 110.907 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.598 ' CH2' HG11 ' A' ' 121' ' ' VAL . 2.9 t-105 -124.27 130.42 52.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 65.24 110.915 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.653 HD12 ' HB3' ' A' ' 122' ' ' MET . 36.7 mt -109.42 -170.64 1.69 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 64.02 110.926 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 10.6 tp60 -81.41 148.24 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.92 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.562 HD12 ' HA ' ' A' ' 124' ' ' ARG . 1.7 tp -74.62 131.98 41.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.461 . . . . 60.11 110.929 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 105.71 -18.02 41.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.767 -0.73 . . . . 74.22 112.481 179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 40.5 t -103.45 136.04 38.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 75.12 111.137 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 62.4 mt -127.09 111.18 24.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 53.53 111.126 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.6 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 6.6 t-20 -112.65 87.55 2.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 73.34 110.846 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 75.42 110.893 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.9 tt0 -54.72 -43.73 72.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 64.42 110.868 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.6 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -70.9 -24.42 62.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 75.01 111.084 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.626 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.76 -52.15 14.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 52.53 111.105 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.4 p -68.62 -33.03 57.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 52.25 111.143 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.553 HD23 ' HB3' ' A' ' 87' ' ' ALA . 21.1 tp -55.2 -27.65 47.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 61.54 110.919 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.485 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.43 -42.27 12.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 60.5 111.089 179.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 1.8 ttm180 -54.98 -33.59 62.61 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -56.24 -25.72 48.7 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.194 -0.457 . . . . 63.04 110.88 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -108.36 -24.09 11.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.096 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 112.34 -13.78 25.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.702 -0.761 . . . . 63.3 112.504 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.485 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 2.2 tp -51.87 149.78 4.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.829 0.347 . . . . 53.1 110.889 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -90.61 98.76 11.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 75.03 110.848 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.626 HG21 ' HA ' ' A' ' 110' ' ' ALA . 6.8 p -91.7 123.69 43.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.169 -0.468 . . . . 53.22 111.137 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.598 HG11 ' CH2' ' A' ' 99' ' ' TRP . 29.8 t -129.62 105.83 12.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 65.1 111.128 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.653 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.72 179.47 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.889 179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 37.0 t0 52.1 36.81 19.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 64.34 110.873 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.562 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.4 mtt-85 -150.36 134.26 16.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.217 -0.447 . . . . 73.2 110.9 -179.904 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 14.0 t -129.4 129.29 23.23 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 70.34 110.875 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -15.87 37.14 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.667 2.245 . . . . 63.14 112.357 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.43 96.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 64.24 111.072 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.5 mt -98.18 -20.08 5.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 71.1 111.115 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -79.26 -19.19 51.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 62.43 110.865 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.536 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.2 tp -68.65 -57.61 8.02 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.592 0.711 . . . . 75.23 110.905 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.536 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.1 Cg_endo -69.71 -7.28 20.65 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.734 2.289 . . . . 73.13 112.355 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.1 ptt180 -51.94 -29.79 21.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.229 -0.441 . . . . 63.32 110.86 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.9 mt -106.16 -30.37 9.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.187 -0.46 . . . . 74.04 110.909 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 109.2 50.67 0.71 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.738 -0.744 . . . . 75.21 112.479 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -109.99 -26.45 9.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 73.53 110.899 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . . . . . . . . . . . -51.67 144.71 10.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 65.12 111.099 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 18.2 mmtp . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 74.31 110.854 179.973 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.813 0.34 . . . . 54.45 110.858 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 14.4 ptpt -115.78 131.89 56.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 70.22 110.9 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -82.15 -56.97 3.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.264 -0.426 . . . . 73.14 110.88 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -63.61 178.68 0.55 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.145 -0.48 . . . . 63.4 110.9 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.541 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.5 m-20 59.74 63.24 1.53 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.193 -0.458 . . . . 75.3 110.84 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.9 pt -52.24 -27.51 10.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.189 -0.46 . . . . 72.04 111.112 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -57.74 -39.27 76.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 70.02 111.106 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.57 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.79 -33.76 45.51 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.753 -0.737 . . . . 74.1 112.49 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.541 HD12 ' O ' ' A' ' 5' ' ' ASP . 4.3 mp -75.32 -30.64 22.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 74.11 111.137 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -85.39 -27.46 25.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 65.01 110.934 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.57 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.6 t -87.03 -20.95 26.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.205 -0.452 . . . . 63.53 111.142 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 27.1 t -85.72 -66.77 0.86 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 70.03 110.828 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -128.31 137.63 52.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 64.33 111.145 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.3 103.53 11.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.433 . . . . 64.33 110.859 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.508 HG22 HG23 ' A' ' 71' ' ' VAL . 73.1 m -139.69 126.98 21.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 73.4 111.14 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.665 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.2 mp -117.46 139.72 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 61.34 111.153 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.787 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -122.43 131.52 53.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 51.04 111.066 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD23 ' HB3' ' A' ' 45' ' ' PRO . 15.5 tp -102.39 135.19 44.44 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 64.25 110.92 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.461 HG12 ' HD2' ' A' ' 78' ' ' ARG . 88.6 t -110.43 133.93 54.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 73.53 111.112 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.78 45.72 26.66 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.724 -0.75 . . . . 52.44 112.486 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -73.58 108.08 6.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.801 0.334 . . . . 32.35 111.094 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 69.7 m -120.3 -171.26 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.875 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 28.5 t0 -99.23 46.81 0.97 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.122 -0.49 . . . . 61.23 110.852 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -111.78 78.16 2.1 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.585 0.707 . . . . 75.22 110.867 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 1.49 4.36 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.682 2.255 . . . . 65.15 112.365 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -100.08 11.36 39.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 64.24 110.839 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.24 162.0 34.11 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.582 0.706 . . . . 72.2 110.912 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.571 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.73 -10.92 29.77 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.666 2.244 . . . . 73.44 112.383 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.17 -27.32 53.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 62.31 110.855 -179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.438 ' CE1' HD11 ' A' ' 56' ' ' LEU . 1.5 t80 -87.76 -45.98 9.86 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.53 110.958 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 13.2 ptp180 -53.31 -34.11 56.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.09 -0.504 . . . . 73.33 110.828 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 98.9 t -77.42 -37.84 25.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 74.23 111.129 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -62.57 1.61 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 60.31 110.883 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -23.15 65.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.12 110.876 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -69.46 -49.9 50.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 72.34 110.975 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.665 ' CD1' HG21 ' A' ' 16' ' ' ILE . 78.3 mt -65.51 -39.47 91.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.126 -0.488 . . . . 73.43 110.931 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 15.2 mt -65.21 -43.5 91.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 70.43 110.916 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -66.01 -46.16 78.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 75.2 110.904 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -56.82 -25.43 55.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 62.23 110.933 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 106.37 26.64 5.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.748 . . . . 74.13 112.442 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.484 ' HB3' HD13 ' A' ' 16' ' ' ILE . 80.7 m-85 -98.96 -176.25 3.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.879 0.371 . . . . 72.03 110.909 -179.803 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -109.46 118.35 36.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 75.32 110.849 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.549 HG12 ' HD3' ' A' ' 45' ' ' PRO . 23.4 t -113.51 124.56 70.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 62.43 111.154 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 49.5 mt -117.97 78.0 12.6 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.63 0.729 . . . . 61.12 111.088 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.635 ' HB3' HD23 ' A' ' 18' ' ' LEU . 53.8 Cg_endo -69.76 124.12 10.77 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.706 2.271 . . . . 70.2 112.362 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.8 t -123.16 122.31 65.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 64.31 111.128 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.39 151.94 44.91 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.67 0.748 . . . . 72.23 110.858 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.84 -9.8 26.96 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.679 2.252 . . . . 74.12 112.35 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.6 ptmm? -106.41 -32.75 7.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 71.22 110.87 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.3 m -78.55 -8.24 11.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 74.05 111.138 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.579 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.63 101.36 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 45.12 111.127 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.62 18.81 14.96 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.696 -0.764 . . . . 71.41 112.475 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 24.5 mtpp -135.03 177.65 7.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.15 110.899 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -120.79 110.96 16.98 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 61.51 111.168 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -99.89 113.02 25.27 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.41 110.876 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.438 HD11 ' CE1' ' A' ' 30' ' ' TYR . 14.0 mt 58.77 21.93 9.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 63.24 110.931 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 97.08 -4.08 62.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 20.4 112.537 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -94.66 143.42 26.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.761 0.315 . . . . 74.24 110.941 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 25.1 tp60 -70.52 128.79 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.224 -0.444 . . . . 52.55 110.966 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -83.01 153.19 30.64 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.734 -0.746 . . . . 75.31 112.475 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -145.14 136.31 24.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.894 0.378 . . . . 75.42 110.901 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.579 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.94 -33.51 75.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 72.1 111.058 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 70.7 p -149.09 154.31 39.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.264 -0.426 . . . . 43.12 111.154 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 1.032 HD13 HD13 ' A' ' 93' ' ' ILE . 4.4 pp -68.02 -15.32 63.55 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 63.45 110.951 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -87.78 7.5 30.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 60.32 111.094 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -107.27 -20.39 13.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.243 -0.435 . . . . 65.31 110.852 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.425 HG13 ' HD2' ' A' ' 68' ' ' PRO . 61.5 t -66.16 133.09 94.59 Favored Pre-proline 0 C--N 1.33 -0.269 0 CA-C-O 121.549 0.69 . . . . 73.13 111.136 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.425 ' HD2' HG13 ' A' ' 67' ' ' VAL . 53.8 Cg_endo -69.76 -42.67 3.21 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.694 2.262 . . . . 72.11 112.38 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -87.31 148.83 24.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 75.31 110.89 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -91.91 128.82 37.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 73.22 110.909 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.787 HG21 ' HB2' ' A' ' 17' ' ' ALA . 9.8 p -74.13 144.34 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 71.44 111.11 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.429 ' OD1' HG23 ' A' ' 9' ' ' ILE . 34.0 t70 -92.19 -27.89 17.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 70.23 110.876 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.489 ' HE2' HG21 ' A' ' 97' ' ' THR . 40.5 ttm -150.99 125.13 9.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 53.1 110.853 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.582 HG22 HG11 ' A' ' 71' ' ' VAL . 43.2 t -104.84 123.4 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 61.01 111.147 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -102.93 142.9 33.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 65.31 110.864 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.7 t -120.98 118.02 54.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 73.24 111.12 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.636 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 18.6 m-85 -116.5 -18.11 10.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.924 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . 0.461 ' HD2' HG12 ' A' ' 19' ' ' VAL . 49.1 mtp180 -51.21 -74.15 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 74.34 110.92 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -169.74 -177.14 2.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 60.11 110.871 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.4 m -68.43 -52.27 34.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.459 . . . . 43.04 110.878 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -52.47 -32.58 40.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 72.05 110.871 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -71.89 -33.07 68.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.479 . . . . 71.52 111.128 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -53.98 -40.68 67.11 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 65.3 111.076 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . 0.601 ' CE3' HD12 ' A' ' 112' ' ' LEU . 54.3 t-105 -66.98 -54.19 24.22 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.199 -0.455 . . . . 74.35 110.917 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -53.47 -34.69 49.52 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.775 -0.726 . . . . 73.42 112.505 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.0 -33.99 12.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.857 0.361 . . . . 72.24 111.118 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -57.55 -58.66 7.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 70.41 111.107 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -55.05 -44.12 74.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.2 110.919 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.566 ' HB3' HD21 ' A' ' 64' ' ' LEU . 5.5 mm-40 -59.55 -40.61 87.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.41 110.925 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.742 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -66.73 -44.21 82.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.118 -0.492 . . . . 42.43 111.097 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.728 HD12 HD22 ' A' ' 112' ' ' LEU . 38.8 mt -62.93 -26.47 40.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 72.42 111.122 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -77.1 -48.75 16.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 65.45 111.075 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 1.032 HD13 HD13 ' A' ' 64' ' ' LEU . 28.5 pt -71.02 -31.06 43.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 73.31 111.152 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 108.17 49.79 0.8 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.735 -0.745 . . . . 43.3 112.485 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.742 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -60.61 -177.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.878 0.371 . . . . 64.22 111.053 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 25.0 mtpp -133.24 -40.67 0.9 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.194 -0.457 . . . . 72.13 110.911 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.489 HG21 ' HE2' ' A' ' 73' ' ' MET . 0.7 OUTLIER -134.06 158.52 43.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 63.3 111.125 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 4.4 tp -143.1 117.32 9.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.143 -0.48 . . . . 70.23 110.917 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.468 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.4 t-105 -114.15 132.62 56.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 75.35 110.908 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.775 HD12 ' HB3' ' A' ' 122' ' ' MET . 62.2 mt -106.72 -174.45 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 54.23 110.933 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -88.58 143.66 26.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.205 -0.452 . . . . 65.24 110.953 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . . . . . . . . . 11.3 mt -53.84 139.33 33.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.89 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.29 16.04 68.61 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.685 -0.769 . . . . 72.11 112.505 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 20.9 t -126.42 107.74 17.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 62.3 111.14 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.496 HG23 ' HG3' ' A' ' 122' ' ' MET . 54.4 mt -115.11 126.62 72.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 72.12 111.14 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.47 ' HB2' ' HB3' ' A' ' 109' ' ' ALA . 5.9 m120 -111.94 96.63 6.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 52.42 110.899 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.672 ' O ' HG23 ' A' ' 111' ' ' VAL . 56.4 tt0 -51.96 -37.1 51.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 65.41 110.896 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -74.21 -50.26 19.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 73.4 110.887 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.47 ' HB3' ' HB2' ' A' ' 106' ' ' ASN . . . -55.72 -27.87 52.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 71.43 111.144 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.31 -39.21 63.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 73.23 111.115 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.672 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.0 t -63.42 -46.65 94.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 75.31 111.077 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.728 HD22 HD12 ' A' ' 91' ' ' ILE . 1.3 mt -51.64 -56.16 15.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.211 -0.45 . . . . 63.42 110.895 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -64.21 -32.19 73.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 65.42 111.056 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 4.8 mmt180 -66.34 -34.41 77.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.25 -0.432 . . . . 74.54 110.863 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -62.85 -47.09 84.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 61.44 110.858 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . 0.548 ' HB2' HG23 ' A' ' 91' ' ' ILE . . . -79.9 -24.09 41.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 62.15 111.113 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 104.67 -2.17 42.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.756 -0.735 . . . . 70.54 112.466 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.687 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.4 tp -51.92 160.81 0.65 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.825 0.345 . . . . 74.02 110.939 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.36 95.93 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.42 110.818 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . . . . . . . . . 6.9 p -91.63 127.32 44.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 65.24 111.163 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.468 HG11 ' CH2' ' A' ' 99' ' ' TRP . 21.9 t -129.59 110.45 20.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.187 -0.46 . . . . 44.41 111.165 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.775 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -105.97 172.37 6.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 72.44 110.886 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 3.9 t70 51.78 38.57 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 63.55 110.874 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -152.64 140.61 20.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 74.2 110.897 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 1.2 m -130.5 149.95 74.92 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.578 0.704 . . . . 43.45 110.877 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -30.1 22.46 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.697 2.264 . . . . 74.1 112.314 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.84 -31.84 70.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 74.54 111.133 179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.6 mm -98.81 -22.89 4.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 73.1 111.118 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 14.6 tm-20 -76.96 -27.68 54.89 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.31 110.904 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.545 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -65.86 -57.37 13.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.657 0.741 . . . . 63.44 110.932 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.545 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.8 Cg_endo -69.77 -6.75 19.35 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.691 2.26 . . . . 70.11 112.363 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -51.96 -29.72 21.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 70.14 110.838 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 6.1 tp -90.15 -27.24 19.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 74.53 110.92 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 95.69 33.36 6.45 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.766 -0.73 . . . . 40.22 112.502 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.7 mp -122.81 -4.44 8.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.796 0.332 . . . . 73.14 110.9 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.517 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.54 128.56 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 61.42 111.057 179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 71.24 110.892 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 ttp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.9 0.381 . . . . 62.1 110.869 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -98.35 -27.75 13.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 73.53 110.887 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.4 pm0 -141.37 150.35 42.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 75.22 110.886 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -109.38 91.62 3.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.469 . . . . 64.32 110.868 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.537 ' OD1' ' HB3' ' A' ' 7' ' ' ALA . 34.6 p-10 -153.24 -173.77 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 74.4 110.852 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 26.3 pt -53.15 -27.45 13.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.193 -0.458 . . . . 65.44 111.13 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.537 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . . . -55.79 -36.49 67.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 74.01 111.065 179.841 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.534 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.46 -34.98 43.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.797 -0.716 . . . . 74.21 112.474 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.4 HD12 ' O ' ' A' ' 5' ' ' ASP . 5.2 mp -75.67 -29.83 20.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.88 0.371 . . . . 73.35 111.152 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.521 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.3 OUTLIER -85.33 -26.71 26.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 71.11 110.909 179.901 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.534 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.4 t -88.75 -21.38 23.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.04 111.173 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 44.7 t -84.05 -67.39 0.8 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 64.15 110.822 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -128.34 144.38 51.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 63.54 111.119 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.83 103.61 11.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 71.42 110.845 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.575 HG22 HG23 ' A' ' 71' ' ' VAL . 98.2 m -139.66 143.46 37.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.158 -0.474 . . . . 72.01 111.15 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.802 HG21 HD13 ' A' ' 36' ' ' LEU . 5.3 mp -126.07 138.52 54.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.251 -0.431 . . . . 75.44 111.11 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.859 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -124.17 140.95 52.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.465 . . . . 62.43 111.065 179.813 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.8 HD23 ' HB2' ' A' ' 21' ' ' ALA . 2.4 tp -121.61 135.45 54.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 62.04 110.972 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 75.9 t -108.73 117.15 53.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 73.23 111.092 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.41 70.02 1.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.784 -0.722 . . . . 54.12 112.504 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.8 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -107.87 99.72 9.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.783 0.325 . . . . 54.11 111.072 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.2 m -113.86 -172.11 2.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.452 . . . . 54.3 110.87 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -92.15 41.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.22 110.843 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 65.3 mmtt -113.82 87.79 13.02 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.576 0.703 . . . . 60.24 110.854 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -7.08 20.14 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.678 2.252 . . . . 50.3 112.357 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -89.06 9.05 26.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.243 -0.435 . . . . 70.44 110.874 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.4 ' HB2' ' HD2' ' A' ' 28' ' ' PRO . 0.0 OUTLIER -112.48 154.95 44.43 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.627 0.727 . . . . 74.25 110.858 -179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 54.0 Cg_endo -69.72 -19.57 36.13 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.72 2.28 . . . . 74.24 112.322 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.09 -22.01 53.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 62.43 110.811 -179.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -87.53 -48.97 7.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.51 110.898 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.51 -32.2 49.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 73.12 110.9 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.688 HG11 ' CE2' ' A' ' 77' ' ' PHE . 94.2 t -77.07 -36.19 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 73.2 111.154 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.461 ' HG3' HD12 ' A' ' 56' ' ' LEU . 8.4 tpt -58.07 -58.58 7.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 63.44 110.909 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.7 tttm -67.54 -20.97 65.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 73.43 110.86 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -74.9 -49.13 21.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.242 -0.435 . . . . 73.43 110.97 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.802 HD13 HG21 ' A' ' 16' ' ' ILE . 35.1 mt -65.44 -36.74 84.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 71.04 110.872 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.7 mt -69.05 -44.2 73.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 55.13 110.947 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -64.66 -45.41 86.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 63.11 110.856 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.487 ' CD ' HD21 ' A' ' 130' ' ' LEU . 64.6 mm-40 -56.49 -25.28 50.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 72.2 110.907 -179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 103.48 60.38 0.7 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.749 -0.738 . . . . 51.42 112.486 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.436 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.3 m-85 -141.79 159.51 42.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.895 0.378 . . . . 74.54 110.942 -179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -88.0 121.42 30.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 63.35 110.845 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.417 HG11 ' SD ' ' A' ' 33' ' ' MET . 16.9 t -118.19 147.03 21.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.247 -0.433 . . . . 61.24 111.13 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 47.9 mt -133.66 79.23 59.61 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.628 0.728 . . . . 53.44 111.141 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.69 139.29 40.09 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.704 2.269 . . . . 61.43 112.34 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.5 t -133.42 122.26 43.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 71.32 111.136 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.37 152.32 45.89 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.674 0.749 . . . . 53.33 110.812 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -11.71 31.36 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.676 2.251 . . . . 73.44 112.392 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.5 tttt -106.32 -32.07 8.32 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 74.42 110.853 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.77 HG23 HD23 ' A' ' 55' ' ' LEU . 5.7 p -77.95 -5.26 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.25 -0.432 . . . . 71.44 111.072 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.569 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.56 96.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 54.32 111.116 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.62 9.41 8.44 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.741 -0.742 . . . . 73.51 112.473 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -143.68 154.3 43.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 62.51 110.862 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.13 110.79 23.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 73.13 111.177 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.77 HD23 HG23 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -89.25 112.37 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 62.31 110.911 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.461 HD12 ' HG3' ' A' ' 33' ' ' MET . 35.6 mt 62.45 24.33 14.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.906 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.39 -8.02 66.56 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.747 -0.739 . . . . 63.23 112.51 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.0 mm-40 -95.47 125.58 40.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.774 0.321 . . . . 65.23 110.9 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 12.8 tp60 -58.16 136.29 57.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.235 -0.439 . . . . 73.25 110.909 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.96 164.47 29.96 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 72.12 112.465 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -153.49 136.88 15.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.882 0.372 . . . . 71.43 110.944 -179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.569 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -68.55 -35.75 77.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 71.22 111.094 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 59.9 p -150.01 149.39 30.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 74.13 111.138 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.591 HD12 HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.26 -16.51 60.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 52.32 110.903 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -67.68 -15.1 63.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 50.41 111.076 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -94.92 -37.62 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 73.13 110.895 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 68' ' ' PRO . 41.3 t -50.64 108.63 1.07 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 65.22 111.135 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 67' ' ' VAL . 53.9 Cg_endo -69.7 -41.99 3.86 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.674 2.25 . . . . 52.45 112.31 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -74.46 108.94 7.55 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 73.01 110.89 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 40.7 mttp -63.57 122.05 15.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 72.14 110.91 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.859 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.9 p -74.79 144.35 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.27 -0.423 . . . . 74.24 111.136 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.77 -25.36 17.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 70.24 110.9 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.522 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.4 ttm -141.45 113.88 8.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 75.14 110.885 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.729 HG22 HG11 ' A' ' 71' ' ' VAL . 59.9 t -95.66 109.66 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.195 -0.457 . . . . 73.22 111.137 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.521 ' OD1' HG23 ' A' ' 16' ' ' ILE . 0.9 OUTLIER -88.05 133.44 33.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 73.54 110.848 179.932 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 21.8 t -122.7 113.01 36.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.03 111.121 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.688 ' CE2' HG11 ' A' ' 32' ' ' VAL . 49.2 m-85 -119.88 -9.22 9.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.852 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.6 mtp180 -51.61 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 62.13 110.827 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 13.1 m-20 -165.49 173.98 10.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 73.53 110.89 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 2.3 m -63.08 -60.08 3.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 74.01 110.865 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -54.14 -28.23 38.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 71.23 110.88 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.187 -0.46 . . . . 45.22 111.11 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.77 -38.78 56.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 72.04 111.057 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -64.59 -54.44 32.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 71.42 110.914 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.31 -43.79 97.03 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.03 112.455 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 77.7 t -71.6 -23.85 22.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.833 0.349 . . . . 71.34 111.13 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -68.27 -57.98 5.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 63.25 111.1 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.503 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.3 pt20 -51.84 -39.53 59.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 75.05 110.92 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB3' HD11 ' A' ' 64' ' ' LEU . 7.1 mt-10 -67.5 -44.35 78.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 73.1 110.842 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.769 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.68 -42.19 98.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.096 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 39.0 mt -62.66 -29.92 48.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.211 -0.45 . . . . 72.31 111.154 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -72.1 -49.09 39.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 73.31 111.053 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.591 HD13 HD12 ' A' ' 64' ' ' LEU . 39.8 pt -70.68 -24.95 25.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.266 -0.425 . . . . 74.31 111.103 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 102.11 54.53 0.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.771 -0.728 . . . . 74.33 112.493 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.932 ' HB3' HD11 ' A' ' 118' ' ' LEU . . . -63.41 -173.9 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.852 0.358 . . . . 63.23 111.146 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt -135.42 -41.29 0.71 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.281 -0.418 . . . . 75.11 110.899 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.13 158.35 43.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 74.43 111.132 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.488 ' HB3' HG22 ' A' ' 120' ' ' VAL . 18.7 tp -144.83 102.44 3.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.222 -0.445 . . . . 54.44 110.93 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -94.96 143.04 26.79 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.189 -0.46 . . . . 72.13 110.914 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.812 HD12 ' HB3' ' A' ' 122' ' ' MET . 41.3 mt -119.63 -171.69 2.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 74.03 110.953 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 -79.68 152.64 29.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 63.21 110.909 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.561 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.4 tp -77.3 138.57 39.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 74.23 110.97 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 93.06 -15.42 62.92 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.768 -0.729 . . . . 64.02 112.468 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.5 t -105.59 151.26 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.781 0.325 . . . . 42.05 111.156 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.8 mp -131.27 134.79 60.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.465 . . . . 73.35 111.162 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . 0.476 ' HB3' ' HB3' ' A' ' 109' ' ' ALA . 3.3 m120 -129.05 87.42 2.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 55.34 110.924 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.742 ' O ' HG23 ' A' ' 111' ' ' VAL . 9.6 tt0 -68.55 -47.42 66.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.485 . . . . 63.43 110.873 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.73 -48.01 73.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 73.1 110.908 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 106' ' ' ASN . . . -69.77 -27.95 65.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 52.44 111.091 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.28 -38.26 65.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 72.42 111.079 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.742 HG23 ' O ' ' A' ' 107' ' ' GLU . 26.4 t -69.13 -50.03 56.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 65.12 111.097 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.503 HD21 ' HB3' ' A' ' 88' ' ' GLN . 20.1 tp -51.27 -32.03 23.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 72.51 110.948 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.842 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.82 -50.09 6.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 35.52 111.146 179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 10.4 ttm180 -53.04 -42.55 65.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 71.4 110.906 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 26.4 pt-20 -62.52 -25.21 67.91 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 75.35 110.889 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -92.54 -24.3 18.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.117 -0.492 . . . . 73.3 111.101 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 119.97 -15.72 10.26 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.751 -0.738 . . . . 61.42 112.487 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.932 HD11 ' HB3' ' A' ' 95' ' ' ALA . 0.8 OUTLIER -58.2 157.99 7.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.862 0.363 . . . . 63.35 110.899 -179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.5 t -113.11 94.8 5.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.198 -0.455 . . . . 64.31 110.877 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.488 HG22 ' HB3' ' A' ' 98' ' ' LEU . 85.0 t -94.05 143.93 10.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 72.31 111.139 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 33.8 t -136.23 120.11 24.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.11 111.137 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.812 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.19 170.9 8.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.209 -0.451 . . . . 74.43 110.907 179.866 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 18.2 t70 63.67 33.56 12.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 70.25 110.876 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.561 ' HA ' HD12 ' A' ' 102' ' ' LEU . 10.2 mtm180 -156.14 135.08 11.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 64.32 110.897 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 12.1 t -137.91 129.13 15.94 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.573 0.701 . . . . 74.11 110.873 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.416 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 54.0 Cg_endo -69.76 -14.53 36.2 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.669 2.246 . . . . 63.31 112.341 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -62.15 -44.75 95.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 74.23 111.095 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.7 mt -99.46 -18.89 6.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 63.13 111.151 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.416 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 17.9 tt0 -69.91 -33.08 71.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 71.3 110.895 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.621 ' HG ' ' HB2' ' A' ' 136' ' ' ALA . 2.1 tp -68.17 -57.86 8.47 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.561 0.696 . . . . 73.45 110.867 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.531 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.4 Cg_endo -69.79 -7.71 21.76 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.629 2.219 . . . . 71.43 112.322 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 9.7 ptt85 -51.92 -30.23 23.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 75.32 110.886 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.06 -30.92 20.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.139 -0.482 . . . . 61.31 110.931 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 102.66 6.8 46.28 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.712 -0.756 . . . . 72.13 112.472 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.523 ' O ' HD12 ' A' ' 135' ' ' LEU . 0.3 OUTLIER -86.06 -25.18 26.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.796 0.332 . . . . 73.54 110.855 -179.857 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.621 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -56.25 152.95 10.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.255 -0.43 . . . . 52.5 111.118 179.781 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 45.9 mttm . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 74.12 110.91 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 mtt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.81 0.338 . . . . 75.01 110.903 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 12.0 pttt -104.75 167.9 9.42 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 70.44 110.875 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -132.78 27.23 4.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.46 . . . . 73.32 110.922 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 65.9 t30 -102.74 -26.23 13.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 55.22 110.869 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 25.5 t0 -100.34 166.5 10.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 72.15 110.842 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.4 pt -52.66 -27.55 11.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 73.11 111.144 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -54.98 -38.92 68.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 73.11 111.087 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.559 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.97 -32.93 47.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.54 112.452 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.472 HG23 ' OD1' ' A' ' 72' ' ' ASP . 4.4 mp -75.24 -31.02 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 64.22 111.146 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.41 ' C ' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -85.31 -28.41 25.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.49 . . . . 62.53 110.924 179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.559 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.2 t -85.57 -21.99 28.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 62.44 111.131 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 31.1 t -84.36 -66.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 45.21 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.9 m -128.43 144.7 51.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.104 -0.498 . . . . 75.02 111.14 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 50.4 mtp180 -114.56 103.45 11.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 74.03 110.914 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.52 HG22 HG23 ' A' ' 71' ' ' VAL . 86.5 m -139.96 143.65 36.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.179 -0.464 . . . . 50.0 111.129 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.631 HG21 ' CD1' ' A' ' 36' ' ' LEU . 5.3 mp -130.69 133.16 63.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 73.34 111.085 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.638 ' CB ' HG21 ' A' ' 71' ' ' VAL . . . -122.94 123.55 41.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.466 . . . . 64.42 111.098 179.839 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.822 HD23 ' HB2' ' A' ' 21' ' ' ALA . 4.9 tp -96.01 126.76 41.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 63.24 110.87 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.452 HG11 HG13 ' A' ' 86' ' ' VAL . 64.8 t -100.83 114.98 41.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 70.14 111.127 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 90.54 62.14 1.28 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.737 . . . . 62.42 112.483 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.822 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -90.22 122.98 33.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.845 0.355 . . . . 54.22 111.07 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.9 p -134.38 -176.86 4.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 75.54 110.884 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -95.19 44.61 1.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 61.34 110.819 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 27.1 mmtp -109.96 83.46 2.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.529 0.68 . . . . 75.13 110.833 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.718 2.279 . . . . 64.12 112.289 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -100.21 26.43 6.53 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.259 -0.428 . . . . 74.45 110.854 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 28.2 mtp85 -130.94 159.27 72.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.618 0.723 . . . . 73.12 110.87 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.593 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.5 Cg_endo -69.82 -17.24 37.42 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.708 2.272 . . . . 72.03 112.314 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -77.48 -28.41 52.27 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.432 . . . . 65.4 110.85 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -87.61 -44.02 11.54 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 73.04 110.899 -179.876 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -53.34 -31.72 45.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 74.43 110.926 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.753 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 96.8 t -77.25 -40.54 29.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.139 -0.482 . . . . 55.11 111.163 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.464 ' HE1' ' HG3' ' A' ' 58' ' ' GLN . 13.6 tpt -54.86 -61.28 2.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 72.23 110.883 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.0 tppp? -63.98 -21.46 66.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 64.42 110.905 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -73.69 -46.74 44.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 73.45 110.877 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.631 ' CD1' HG21 ' A' ' 16' ' ' ILE . 63.6 mt -64.43 -43.72 93.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 62.02 110.9 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 31.7 mt -61.73 -46.78 88.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 74.3 110.956 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.17 -54.38 36.79 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 70.54 110.872 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 95.0 mm-40 -56.66 -25.18 53.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.446 . . . . 62.13 110.932 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 104.16 44.14 1.65 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 71.42 112.476 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -113.2 164.84 13.02 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.942 0.401 . . . . 74.21 110.893 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -97.49 115.24 27.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 73.44 110.839 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.455 HG23 ' HG3' ' A' ' 58' ' ' GLN . 0.5 OUTLIER -109.8 144.75 17.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.227 -0.442 . . . . 75.15 111.15 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 48.1 mt -129.72 81.44 69.44 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.638 0.732 . . . . 72.32 111.128 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 126.87 13.85 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.689 2.259 . . . . 71.31 112.322 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 49.0 t -125.07 121.81 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.456 . . . . 62.21 111.169 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.437 ' CB ' HG12 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -146.73 151.94 43.61 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.723 . . . . 71.23 110.875 -179.829 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -12.92 33.98 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.674 2.25 . . . . 60.21 112.39 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.5 ttmt -106.58 -31.41 8.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 63.45 110.91 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.437 HG12 ' CB ' ' A' ' 47' ' ' SER . 7.7 p -77.88 -8.17 11.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 64.21 111.107 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.562 ' CB ' ' HB2' ' A' ' 62' ' ' ALA . . . -54.85 102.15 0.06 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 73.33 111.15 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 102.31 17.97 18.31 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 42.13 112.542 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 mmmm -126.24 172.29 10.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.861 0.363 . . . . 73.14 110.852 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -128.9 113.93 15.86 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 54.23 111.138 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 5.3 mt -115.57 117.78 31.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 43.23 110.904 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.8 mt 61.97 25.29 15.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.41 110.891 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.28 -0.91 84.03 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.784 -0.722 . . . . 62.04 112.461 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.464 ' HG3' ' HE1' ' A' ' 33' ' ' MET . 32.2 mm-40 -96.32 138.88 33.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.821 0.343 . . . . 73.55 110.89 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 17.1 tp60 -77.88 143.12 38.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.462 . . . . 73.03 110.887 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -91.96 164.26 28.6 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 42.31 112.517 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.623 ' CG ' HG22 ' A' ' 67' ' ' VAL . 17.0 m-85 -152.54 131.86 12.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.907 0.384 . . . . 71.34 110.923 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.562 ' HB2' ' CB ' ' A' ' 51' ' ' ALA . . . -67.04 -29.97 69.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 41.41 111.104 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 62.1 p -148.57 148.68 30.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.256 -0.429 . . . . 73.3 111.183 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' A' ' 93' ' ' ILE . 0.3 OUTLIER -63.46 -30.49 71.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.271 -0.422 . . . . 71.14 110.892 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.878 ' HB2' HG22 ' A' ' 93' ' ' ILE . . . -77.0 -2.7 35.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 64.13 111.115 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.9 -6.75 38.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 54.5 110.866 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.623 HG22 ' CG ' ' A' ' 61' ' ' TYR . 23.5 t -87.44 131.87 42.72 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.606 0.717 . . . . 71.4 111.142 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -43.16 2.84 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.673 2.249 . . . . 72.24 112.303 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -75.28 147.69 40.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 61.24 110.933 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 15.6 pttp -98.25 122.1 41.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.23 110.887 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.638 HG21 ' CB ' ' A' ' 17' ' ' ALA . 8.3 p -77.12 140.54 16.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 63.3 111.138 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.472 ' OD1' HG23 ' A' ' 9' ' ' ILE . 0.4 OUTLIER -96.38 -23.86 16.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.23 110.869 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.423 ' H ' HG22 ' A' ' 71' ' ' VAL . 1.6 ttp -146.39 119.74 8.99 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 72.44 110.862 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.445 HG22 HG11 ' A' ' 71' ' ' VAL . 77.7 t -103.57 138.22 28.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 61.03 111.132 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.482 ' OD1' HD12 ' A' ' 18' ' ' LEU . 2.3 p30 -107.43 147.43 30.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 74.13 110.821 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.407 ' HB ' HD23 ' A' ' 100' ' ' LEU . 21.6 t -131.87 101.43 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 64.11 111.105 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.753 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 46.8 m-85 -114.97 -5.13 12.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 73.11 110.894 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 1.1 mtt-85 -51.86 -68.02 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 71.21 110.881 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 35.6 m-20 -163.82 167.95 20.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 71.13 110.888 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 45.5 p -62.4 -58.19 8.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 73.15 110.888 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -62.59 -25.33 68.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 63.33 110.864 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.444 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -64.45 -24.66 67.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 75.04 111.082 179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.2 -41.86 63.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 74.24 111.113 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.2 t-105 -66.66 -54.48 22.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 74.05 110.952 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.51 -34.24 74.93 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.76 -0.734 . . . . 65.14 112.451 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.452 HG13 HG11 ' A' ' 19' ' ' VAL . 90.4 t -83.09 -21.87 8.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.853 0.359 . . . . 70.23 111.122 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.571 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -74.08 -44.67 53.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 70.31 111.137 179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.447 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -60.91 -43.44 98.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 63.45 110.939 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.423 ' OE2' HG13 ' A' ' 86' ' ' VAL . 16.9 pt-20 -67.47 -40.91 85.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 64.02 110.91 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -66.79 -42.8 85.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 61.31 111.126 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.46 ' CG1' HD22 ' A' ' 118' ' ' LEU . 25.0 mt -69.78 -35.67 66.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 64.03 111.108 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -62.39 -47.06 85.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.41 111.082 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.878 HG22 ' HB2' ' A' ' 65' ' ' ALA . 47.3 pt -70.63 -24.69 25.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 70.5 111.162 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.84 59.5 0.56 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.716 -0.754 . . . . 72.34 112.483 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.672 ' C ' HD11 ' A' ' 118' ' ' LEU . . . -75.39 -177.85 3.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.873 0.368 . . . . 52.05 111.088 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 10.8 mmmt -130.95 -41.15 1.15 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.14 110.916 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.94 158.18 45.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 64.13 111.144 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 11.5 tp -141.19 109.26 5.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.221 -0.445 . . . . 32.14 110.916 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.58 ' CH2' HG11 ' A' ' 121' ' ' VAL . 4.3 t-105 -105.58 139.87 39.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.219 -0.446 . . . . 74.21 110.868 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.407 HD23 ' HB ' ' A' ' 76' ' ' VAL . 57.0 mt -116.35 -173.78 2.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 51.01 110.89 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.661 ' O ' HG12 ' A' ' 104' ' ' VAL . 2.1 mm-40 -82.97 163.94 20.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 51.43 110.921 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 125' ' ' CYS . 1.0 OUTLIER -82.93 127.61 33.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 74.52 110.904 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 96.66 19.1 28.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.751 -0.737 . . . . 75.01 112.54 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.661 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.4 p -122.93 147.94 26.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.805 0.336 . . . . 64.42 111.104 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 38.9 mt -142.92 107.96 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.5 111.116 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -117.12 89.65 3.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 74.34 110.878 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.673 ' O ' HG23 ' A' ' 111' ' ' VAL . 55.8 tt0 -53.23 -39.74 64.02 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.193 -0.458 . . . . 73.14 110.895 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -63.56 -44.28 94.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 72.43 110.873 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.85 -34.41 77.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 72.51 111.111 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.503 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -67.91 -33.38 74.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 52.31 111.073 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.673 HG23 ' O ' ' A' ' 107' ' ' GLU . 22.3 t -77.49 -40.89 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 73.35 111.125 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.571 HD23 ' HB3' ' A' ' 87' ' ' ALA . 32.6 tp -56.22 -41.45 75.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.453 . . . . 72.24 110.928 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.501 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -75.89 -34.96 59.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 65.15 111.074 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.2 tpt85 -67.78 -41.04 83.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 75.01 110.898 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -54.1 -28.3 38.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 63.13 110.903 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -101.69 -24.23 14.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 61.02 111.066 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 110.58 -12.59 30.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.75 -0.738 . . . . 72.52 112.525 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.672 HD11 ' C ' ' A' ' 95' ' ' ALA . 2.1 tp -51.55 145.64 8.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.321 . . . . 74.25 110.894 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.3 m -87.26 99.54 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 72.11 110.876 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.503 HG11 ' HA ' ' A' ' 110' ' ' ALA . 7.5 p -91.66 132.96 34.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 71.24 111.102 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.58 HG11 ' CH2' ' A' ' 99' ' ' TRP . 23.4 t -134.43 111.33 14.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 72.02 111.158 179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . . . . . . . . . 7.9 ptp -110.09 176.61 4.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 71.2 110.877 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.5 t70 51.83 37.81 21.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.896 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 15.7 mmm180 -145.97 139.33 26.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.191 -0.459 . . . . 74.11 110.92 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB3' HD12 ' A' ' 102' ' ' LEU . 6.7 t -131.47 129.01 22.09 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-O 121.608 0.718 . . . . 50.12 110.889 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.415 ' HA ' ' HB3' ' A' ' 129' ' ' GLU . 53.7 Cg_endo -69.76 -21.8 32.97 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.746 2.298 . . . . 73.01 112.304 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -60.59 -40.91 93.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 51.53 111.111 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.4 mt -98.69 -18.54 6.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 74.15 111.102 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.415 ' HB3' ' HA ' ' A' ' 126' ' ' PRO . 19.8 tt0 -73.11 -30.58 63.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 74.0 110.897 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.543 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -67.58 -57.65 9.83 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.581 0.705 . . . . 62.44 110.876 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.543 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 53.5 Cg_endo -69.76 -7.09 20.17 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.655 2.237 . . . . 74.44 112.341 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 19.1 ptt180 -51.9 -29.75 21.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 73.2 110.87 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 78.1 mt -106.18 -30.69 9.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 75.1 110.865 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 110.74 23.05 6.06 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.771 -0.728 . . . . 73.3 112.535 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.7 mp -81.78 -26.41 34.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.358 . . . . 73.41 110.883 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.492 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.72 126.23 17.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 70.22 111.145 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.223 -0.444 . . . . 73.4 110.944 179.967 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.842 0.353 . . . . 74.03 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -95.97 120.07 35.59 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.4 110.93 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.615 ' HG2' HD22 ' A' ' 118' ' ' LEU . 21.4 mt-10 -111.2 -64.07 1.33 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 71.23 110.91 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -65.58 -173.95 0.18 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 63.23 110.883 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.601 ' O ' HD12 ' A' ' 9' ' ' ILE . 2.7 m-20 63.48 58.25 1.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 62.43 110.883 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.463 HG23 ' OG ' ' A' ' 119' ' ' SER . 10.2 pt -51.28 -27.72 6.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.216 -0.447 . . . . 72.25 111.112 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -58.97 -39.72 82.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 64.22 111.121 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.516 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -77.3 -32.28 48.45 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.773 -0.727 . . . . 50.41 112.501 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.601 HD12 ' O ' ' A' ' 5' ' ' ASP . 3.8 mp -75.52 -36.59 35.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.812 0.339 . . . . 70.51 111.124 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.464 ' C ' HD12 ' A' ' 10' ' ' LEU . 1.2 pp -78.74 -34.5 45.76 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.203 -0.453 . . . . 60.32 110.91 179.884 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.516 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.2 t -77.57 -27.65 51.48 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.11 111.158 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.5 t -79.26 -63.52 1.4 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 52.44 110.895 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.6 m -128.46 144.49 51.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.077 -0.51 . . . . 61.21 111.098 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 9.6 ptt180 -119.16 103.87 9.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 65.33 110.839 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 92.0 m -139.52 143.28 37.36 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.44 111.121 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mp -130.23 132.24 65.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 74.15 111.131 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.564 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -120.61 133.33 55.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 71.53 111.091 179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.994 HD23 ' HB2' ' A' ' 21' ' ' ALA . 5.8 tp -104.73 135.29 46.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 53.31 110.922 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.0 t -106.98 137.43 37.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 61.44 111.089 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 73.03 37.22 56.39 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.746 -0.74 . . . . 70.14 112.46 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.994 ' HB2' HD23 ' A' ' 18' ' ' LEU . . . -73.3 110.82 7.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.799 0.333 . . . . 63.13 111.083 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 7.5 t -123.49 -169.67 1.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 74.25 110.88 -179.827 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -92.82 42.83 1.11 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.132 -0.486 . . . . 74.22 110.909 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.5 mmtt -109.7 84.03 3.04 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.581 0.705 . . . . 72.25 110.861 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -6.55 18.86 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.706 2.271 . . . . 73.43 112.355 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -98.53 20.85 12.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.92 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 4.1 mmm180 -120.42 159.37 48.23 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.585 0.707 . . . . 71.32 110.845 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.411 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.9 Cg_endo -69.77 -21.17 33.83 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.706 2.271 . . . . 74.43 112.336 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.12 -26.78 53.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 62.21 110.879 -179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -87.8 -46.11 9.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 63.52 110.95 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 26.5 ptt180 -53.57 -35.86 61.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 65.32 110.884 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.746 HG11 ' CE1' ' A' ' 77' ' ' PHE . 34.7 m -77.29 -30.03 17.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 61.14 111.136 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.462 ' HG3' HD22 ' A' ' 18' ' ' LEU . 7.0 ttm -61.4 -57.87 10.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 71.22 110.867 179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -70.25 -23.26 62.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 73.13 110.873 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.662 ' OH ' HD23 ' A' ' 130' ' ' LEU . 8.2 t80 -74.37 -47.16 35.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 72.14 110.934 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 23.6 mt -68.34 -34.53 76.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.14 -0.482 . . . . 73.44 110.905 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.577 ' HG ' HG21 ' A' ' 43' ' ' VAL . 17.8 mt -67.35 -46.13 74.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.948 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -52.54 -52.01 56.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.178 -0.465 . . . . 74.0 110.823 179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.415 ' HG3' HD21 ' A' ' 130' ' ' LEU . 20.5 mm100 -56.52 -24.94 49.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.911 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.09 59.02 0.81 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.72 -0.753 . . . . 62.11 112.509 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 44.7 m-85 -121.23 176.92 5.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.904 0.383 . . . . 72.33 110.906 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -100.33 107.25 18.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 74.53 110.873 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.79 HG12 ' HD3' ' A' ' 45' ' ' PRO . 46.7 t -106.38 134.17 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 72.32 111.132 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 33.3 mt -128.87 76.54 78.95 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.606 0.717 . . . . 65.41 111.165 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.79 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.6 Cg_endo -69.76 130.67 19.75 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.656 2.238 . . . . 63.1 112.341 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.6 t -126.71 122.04 59.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.236 -0.438 . . . . 45.31 111.174 179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.47 152.4 45.7 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.701 0.763 . . . . 71.13 110.858 -179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -10.66 29.05 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.673 2.249 . . . . 42.01 112.34 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 42.4 mttp -105.07 -33.83 8.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 61.44 110.88 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 9.8 p -77.51 -10.18 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.453 . . . . 64.01 111.143 179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.584 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -54.26 102.58 0.06 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.143 -0.48 . . . . 53.32 111.134 179.858 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 103.9 16.46 19.24 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 64.34 112.494 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 22.8 mtpp -134.56 171.3 14.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 74.34 110.864 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.71 112.82 20.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 75.01 111.148 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 4.7 mt -102.43 115.53 30.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 75.22 110.919 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 79.1 mt 57.23 26.0 11.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.16 -0.473 . . . . 65.14 110.944 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 89.81 7.58 68.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.694 -0.765 . . . . 65.41 112.504 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 43.1 mm-40 -105.63 133.33 50.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.788 0.328 . . . . 74.31 110.888 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -61.74 142.12 57.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 30.43 110.907 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -95.49 155.93 21.45 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 74.14 112.504 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -149.48 134.19 17.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.899 0.38 . . . . 65.31 110.873 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.584 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -67.9 -30.36 69.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.107 -0.497 . . . . 43.13 111.111 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 2.1 t -162.91 152.45 15.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 61.32 111.176 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.903 HD12 HD13 ' A' ' 93' ' ' ILE . 0.4 OUTLIER -62.21 -17.54 58.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.213 -0.448 . . . . 54.14 110.922 179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -65.85 -15.98 63.41 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 60.11 111.113 179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -96.72 -37.89 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 71.1 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 46.2 t -50.14 108.35 0.99 Allowed Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.594 0.711 . . . . 72.51 111.139 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -40.77 4.89 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.699 2.266 . . . . 65.31 112.336 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -73.69 131.09 41.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.848 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.03 127.6 33.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.12 -0.491 . . . . 73.13 110.938 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.564 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.5 p -82.31 144.3 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 70.24 111.155 179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.464 ' OD2' HG22 ' A' ' 9' ' ' ILE . 4.5 t70 -80.03 -43.7 21.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.13 110.872 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 29.8 ttp -146.4 129.4 16.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 73.1 110.834 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.457 HG22 HG11 ' A' ' 71' ' ' VAL . 81.1 t -97.96 108.92 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 73.05 111.143 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -80.8 126.24 31.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.865 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 57.1 t -111.32 117.05 54.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.31 111.112 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.746 ' CE1' HG11 ' A' ' 32' ' ' VAL . 98.2 m-85 -116.9 -15.09 10.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 74.21 110.86 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 46.1 mtp180 -51.56 -73.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.51 110.831 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -176.04 -179.02 1.08 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 71.22 110.902 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' A' ' 83' ' ' ALA . 1.3 t -72.73 -45.88 56.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 71.21 110.815 -179.827 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -52.99 -38.5 62.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 74.24 110.887 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.584 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -75.66 -24.92 56.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 64.32 111.085 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.412 ' HB3' ' O ' ' A' ' 80' ' ' SER . . . -54.44 -43.33 71.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.33 111.092 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 19.6 t-105 -64.01 -53.69 46.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.233 -0.439 . . . . 74.1 110.882 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -59.06 -43.17 97.16 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 64.53 112.447 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 82' ' ' ALA . 48.9 t -72.09 -26.07 24.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 65.42 111.115 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -67.24 -55.48 13.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 71.23 111.114 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.628 ' HB3' HD21 ' A' ' 112' ' ' LEU . 3.4 pt20 -56.23 -43.38 78.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 64.14 110.943 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -59.51 -45.33 92.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.19 -0.459 . . . . 74.53 110.872 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.556 ' HB1' ' HB2' ' A' ' 95' ' ' ALA . . . -63.73 -50.08 70.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 73.21 111.111 179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 12.8 mt -62.31 -36.34 74.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 64.32 111.115 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -59.83 -51.47 69.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.52 111.033 179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.903 HD13 HD12 ' A' ' 64' ' ' LEU . 46.9 pt -71.02 -24.47 24.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 64.22 111.086 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 105.0 56.57 0.7 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.691 -0.766 . . . . 73.35 112.462 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.556 ' HB2' ' HB1' ' A' ' 90' ' ' ALA . . . -65.61 175.33 1.88 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 72.53 111.077 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 34.0 mtpt -116.68 -28.47 6.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.216 -0.447 . . . . 72.3 110.911 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -161.12 158.08 27.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 64.03 111.119 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.587 HD23 HG23 ' A' ' 120' ' ' VAL . 5.0 tp -138.65 134.06 33.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 64.2 110.96 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -131.08 138.61 49.64 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.232 -0.44 . . . . 74.32 110.902 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.692 HD12 ' CB ' ' A' ' 122' ' ' MET . 21.2 mt -115.74 -167.23 1.23 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.12 110.922 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.703 ' O ' HG12 ' A' ' 104' ' ' VAL . 6.1 tp60 -85.33 155.46 21.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 75.55 110.965 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.8 tp -79.36 131.79 36.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.268 -0.423 . . . . 73.2 110.882 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 103.01 -14.13 55.85 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.71 -0.757 . . . . 74.42 112.471 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.9 p -91.74 148.81 4.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.813 0.34 . . . . 73.4 111.166 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 79.7 mt -142.81 103.1 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 55.04 111.118 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 -116.42 89.72 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 72.11 110.863 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.713 ' O ' HG23 ' A' ' 111' ' ' VAL . 35.0 tp10 -51.94 -35.9 47.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.22 110.922 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.82 -47.46 85.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 71.44 110.948 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.88 -30.1 71.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.157 -0.474 . . . . 73.33 111.138 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.488 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -71.25 -32.09 68.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 62.52 111.1 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.713 HG23 ' O ' ' A' ' 107' ' ' GLU . 20.9 t -78.54 -39.4 23.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 64.24 111.12 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.628 HD21 ' HB3' ' A' ' 88' ' ' GLN . 33.3 tp -55.99 -45.6 78.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 72.33 110.914 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -70.3 -37.4 74.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 61.33 111.106 179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 16.3 ttt180 -69.17 -26.73 65.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 61.42 110.861 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 28.4 mm-40 -61.04 -35.16 76.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 62.2 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -102.5 -23.87 13.87 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 55.55 111.078 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 111.65 -5.84 27.87 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.764 -0.732 . . . . 32.52 112.509 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.615 HD22 ' HG2' ' A' ' 3' ' ' GLU . 0.2 OUTLIER -51.86 156.66 1.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.841 0.353 . . . . 64.43 110.896 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.463 ' OG ' HG23 ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.56 94.7 6.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 72.22 110.869 -179.933 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.587 HG23 HD23 ' A' ' 98' ' ' LEU . 14.9 p -100.55 132.35 46.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 74.54 111.152 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 29.2 t -131.88 105.86 10.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 65.12 111.107 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.692 ' CB ' HD12 ' A' ' 100' ' ' LEU . 1.6 ptt? -104.15 -177.49 3.38 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 64.12 110.854 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 4.1 t70 51.73 34.4 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 74.12 110.907 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 4.2 mmm180 -150.44 135.89 18.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 73.04 110.923 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.4 ' HB2' ' HB2' ' A' ' 102' ' ' LEU . 23.7 t -127.34 129.71 23.84 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.619 0.723 . . . . 65.13 110.862 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . 0.409 ' HA ' ' HB2' ' A' ' 129' ' ' GLU . 53.6 Cg_endo -69.77 -21.42 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.647 2.231 . . . . 73.33 112.363 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.97 -41.36 74.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.141 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 57.0 mt -99.07 -24.42 4.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.454 . . . . 64.5 111.129 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . 0.409 ' HB2' ' HA ' ' A' ' 126' ' ' PRO . 4.2 mm-40 -70.37 -43.68 69.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.117 -0.492 . . . . 64.45 110.861 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.662 HD23 ' OH ' ' A' ' 35' ' ' TYR . 2.4 tp -54.69 -57.51 18.74 Favored Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.631 0.729 . . . . 61.44 110.936 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.54 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.77 -4.26 13.68 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.659 2.239 . . . . 54.51 112.341 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 -34.18 27.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 73.33 110.89 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -113.3 -30.83 6.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.173 -0.467 . . . . 63.1 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -98.54 -23.74 11.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.767 -0.73 . . . . 72.31 112.474 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 65.0 28.43 12.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 73.33 110.886 -179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.508 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.49 164.25 0.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 24.24 111.094 179.825 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.451 . . . . 71.43 110.888 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptp . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.818 0.342 . . . . 73.3 110.867 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -105.25 147.9 27.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 62.34 110.889 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.8 mm-40 -127.04 163.84 22.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 72.41 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 p30 -123.48 39.37 3.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.496 . . . . 71.23 110.868 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -143.27 -176.18 4.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 71.21 110.859 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.3 pt -52.54 -27.61 11.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.204 -0.453 . . . . 63.0 111.141 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.464 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.82 -39.81 68.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.23 111.128 179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.557 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.31 -32.17 52.61 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.782 -0.723 . . . . 55.14 112.498 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 4.3 mp -75.27 -29.83 21.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.912 0.387 . . . . 73.11 111.119 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.464 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.5 OUTLIER -85.19 -28.05 25.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 70.53 110.91 179.925 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.557 HG22 ' HA2' ' A' ' 8' ' ' GLY . 5.3 t -87.44 -20.37 26.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 65.5 111.139 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 30.8 t -87.15 -67.08 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 64.05 110.857 -179.817 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.7 m -128.38 128.38 44.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.158 -0.474 . . . . 61.21 111.144 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.1 mtm180 -103.7 104.25 14.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.247 -0.433 . . . . 64.11 110.871 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 95.7 m -139.17 130.02 26.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 64.02 111.141 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 1.093 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -112.33 128.28 69.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 52.41 111.107 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.579 ' HB3' ' HA ' ' A' ' 74' ' ' VAL . . . -106.65 151.52 24.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.125 -0.488 . . . . 62.41 111.105 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.746 HD23 ' HB3' ' A' ' 45' ' ' PRO . 2.1 tp -131.71 127.34 36.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 74.03 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.674 ' N ' HD12 ' A' ' 18' ' ' LEU . 25.9 t -104.79 126.62 59.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 71.45 111.153 179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 76.3 63.9 2.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.774 -0.726 . . . . 73.14 112.538 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -86.73 107.24 18.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.816 0.341 . . . . 71.42 111.082 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -123.46 -175.32 3.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 70.24 110.861 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -99.51 47.44 0.96 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.148 -0.478 . . . . 64.34 110.872 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 30.3 mmtt -110.61 84.47 4.07 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.574 0.702 . . . . 73.44 110.887 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -6.38 18.46 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.682 2.255 . . . . 72.24 112.351 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 64.8 m-20 -98.48 24.78 6.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.46 . . . . 71.13 110.896 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 8.0 mmm180 -132.69 159.18 73.55 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.597 0.713 . . . . 71.32 110.906 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.588 ' O ' HG23 ' A' ' 32' ' ' VAL . 53.2 Cg_endo -69.74 -16.42 37.64 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.685 2.257 . . . . 73.13 112.327 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.97 -29.08 55.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 54.33 110.834 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 27.8 t80 -87.8 -44.32 11.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.142 -0.481 . . . . 75.41 110.885 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.411 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 7.0 ptm180 -53.79 -32.5 52.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.142 -0.481 . . . . 63.11 110.869 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.588 HG23 ' O ' ' A' ' 28' ' ' PRO . 89.5 t -77.21 -40.18 29.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 64.23 111.13 179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.644 ' SD ' HD12 ' A' ' 56' ' ' LEU . 28.3 ttm -55.3 -60.73 3.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 71.14 110.856 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -64.94 -22.35 66.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.2 -0.455 . . . . 41.11 110.885 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -69.94 -51.49 32.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.26 -0.427 . . . . 75.13 110.902 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 1.093 HD13 HG21 ' A' ' 16' ' ' ILE . 42.5 mt -70.74 -30.92 67.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 71.01 110.928 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.668 ' HG ' HG21 ' A' ' 43' ' ' VAL . 16.2 mt -70.02 -35.79 74.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 74.11 110.926 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -76.76 -42.37 41.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 70.12 110.885 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 35.5 mm-40 -56.75 -24.88 53.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.464 . . . . 60.15 110.942 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 101.37 44.54 1.98 Allowed Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.722 -0.751 . . . . 51.42 112.497 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . 0.563 ' HB3' HD13 ' A' ' 16' ' ' ILE . 73.1 m-85 -119.82 167.36 12.17 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 74.24 110.919 -179.793 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.3 m80 -87.02 117.67 25.9 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.128 -0.487 . . . . 64.43 110.851 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.759 HG12 ' HD3' ' A' ' 45' ' ' PRO . 87.4 t -110.66 132.52 58.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 72.11 111.101 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 28.6 mt -126.3 79.57 70.06 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.649 0.738 . . . . 70.52 111.098 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.759 ' HD3' HG12 ' A' ' 43' ' ' VAL . 53.5 Cg_endo -69.77 134.75 28.71 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 74.23 112.31 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.56 121.97 46.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 72.11 111.181 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -146.77 152.09 43.81 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.629 0.728 . . . . 74.34 110.899 -179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 -14.42 36.14 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.724 2.283 . . . . 75.54 112.364 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 mttm -106.49 -29.92 9.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 71.31 110.912 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.8 p -77.53 -6.82 9.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 64.11 111.124 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.568 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -62.98 103.31 0.44 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.22 111.123 179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 112.86 7.68 21.47 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.782 -0.723 . . . . 74.12 112.481 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -139.82 163.34 32.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.842 0.353 . . . . 75.22 110.9 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -111.42 122.53 48.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.271 -0.422 . . . . 73.42 111.169 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . 0.409 HD23 ' HA ' ' A' ' 55' ' ' LEU . 2.9 mt -109.63 122.5 47.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 74.25 110.94 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.644 HD12 ' SD ' ' A' ' 33' ' ' MET . 15.5 mt 58.72 21.78 9.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 64.13 110.946 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 95.21 -7.14 69.18 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.769 -0.729 . . . . 64.25 112.466 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.0 mm-40 -94.72 137.53 33.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.776 0.322 . . . . 55.03 110.909 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.5 tp60 -72.19 132.39 44.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 73.22 110.869 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -84.21 159.95 36.08 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.753 -0.737 . . . . 63.12 112.464 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 16.1 m-85 -148.79 135.39 19.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.881 0.372 . . . . 73.13 110.913 -179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.568 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -65.16 -25.03 67.56 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 71.3 111.066 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 1.4 t -166.86 156.71 11.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 74.13 111.159 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -62.11 -24.39 67.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 54.31 110.917 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -82.5 2.71 31.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 61.14 111.091 179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 46.9 t0 -101.44 -21.1 14.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 60.22 110.869 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.438 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.5 p -99.06 133.16 22.38 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.624 0.726 . . . . 40.33 111.136 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.438 ' HD2' HG23 ' A' ' 67' ' ' VAL . 53.6 Cg_endo -69.83 -40.98 4.58 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.658 2.239 . . . . 74.13 112.309 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -51.65 151.21 3.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 71.43 110.885 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -101.93 144.95 29.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 74.13 110.873 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 17' ' ' ALA . 88.7 t -98.86 143.84 12.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.263 -0.426 . . . . 44.42 111.17 179.833 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 45.4 m-20 -108.02 -39.56 5.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.171 -0.468 . . . . 73.42 110.887 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 9.8 ttp -132.06 112.02 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 61.02 110.884 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.579 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 46.3 t -89.05 108.64 19.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 64.52 111.094 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -89.65 99.66 12.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 72.51 110.794 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.455 HG22 HG11 ' A' ' 86' ' ' VAL . 15.3 t -104.52 107.45 22.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 71.34 111.131 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.716 ' CZ ' HD13 ' A' ' 18' ' ' LEU . 0.2 OUTLIER -125.3 -2.31 7.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.198 -0.456 . . . . 74.23 110.899 -179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -48.17 -70.87 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 73.41 110.871 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -150.93 175.21 12.26 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.01 110.856 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.1 p -73.94 -60.03 2.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.104 -0.498 . . . . 52.35 110.904 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -60.32 -25.52 65.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 55.44 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.601 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -65.28 -28.12 69.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 72.31 111.135 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -51.47 -30.23 19.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 74.23 111.106 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 39.6 t-105 -71.32 -53.32 14.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 70.11 110.934 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -61.18 -29.9 72.4 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.717 -0.754 . . . . 62.34 112.549 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.626 ' CG1' HG21 ' A' ' 19' ' ' VAL . 21.2 t -82.82 -37.28 13.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.811 0.338 . . . . 74.53 111.121 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . . . . . . . . . . . -58.48 -55.6 32.89 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 74.1 111.066 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -51.78 -42.88 62.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 74.33 110.974 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -65.43 -44.48 87.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.31 110.865 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -57.2 -37.65 72.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 61.02 111.104 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . 0.524 HG12 HD13 ' A' ' 118' ' ' LEU . 9.9 mt -75.29 -25.42 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 74.51 111.098 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -67.66 -51.59 48.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 71.53 111.067 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . . . . . . . . . 2.5 pp -70.76 -31.19 45.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 74.05 111.102 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 107.41 52.9 0.7 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.736 -0.745 . . . . 72.32 112.463 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -66.31 171.23 5.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.31 111.128 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 19.8 mmtt -117.49 -28.24 6.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.242 -0.435 . . . . 72.12 110.891 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.93 158.78 43.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.255 -0.43 . . . . 45.42 111.175 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD12 ' HB ' ' A' ' 74' ' ' VAL . 15.6 tp -137.72 102.25 4.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 75.11 110.912 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.552 ' CH2' HG11 ' A' ' 121' ' ' VAL . 1.3 t-105 -99.64 133.76 43.51 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.136 -0.484 . . . . 75.15 110.909 179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.811 HD12 ' HB3' ' A' ' 122' ' ' MET . 53.9 mt -108.22 -174.14 2.45 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.441 . . . . 74.45 110.923 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -84.66 144.37 28.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.943 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.782 HD13 ' HB2' ' A' ' 125' ' ' CYS . 4.5 tp -55.49 141.14 37.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 73.12 110.927 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 68.2 16.03 68.41 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.808 -0.71 . . . . 71.42 112.44 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 19.6 t -125.83 122.5 62.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.872 0.368 . . . . 64.24 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.533 HG23 ' HG2' ' A' ' 122' ' ' MET . 46.9 mt -125.07 132.84 70.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 70.24 111.081 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -120.93 106.06 11.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 54.32 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -70.75 -37.61 73.45 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 72.34 110.941 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -66.6 -49.11 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.122 -0.49 . . . . 74.34 110.906 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.01 -24.19 62.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 72.11 111.071 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.414 ' HA ' HG11 ' A' ' 120' ' ' VAL . . . -65.31 -51.28 61.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 63.42 111.117 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.7 p -73.51 -33.86 40.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.236 -0.438 . . . . 74.03 111.125 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 21.3 tp -53.54 -28.95 34.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.21 110.948 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.553 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.57 -39.72 14.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 30.43 111.129 179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 2.7 tmm_? -52.2 -39.3 59.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.45 110.886 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -53.79 -30.65 45.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.828 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -100.34 -24.36 14.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.167 -0.47 . . . . 43.23 111.077 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 100.75 31.32 5.78 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.732 -0.747 . . . . 75.24 112.478 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.553 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 0.2 OUTLIER -87.42 151.21 23.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.808 0.337 . . . . 64.15 110.913 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.1 m -87.96 100.64 13.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 70.25 110.827 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.446 ' CG2' ' HB3' ' A' ' 113' ' ' ALA . 99.8 t -91.29 134.77 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.14 111.17 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.552 HG11 ' CH2' ' A' ' 99' ' ' TRP . 44.0 t -140.67 116.42 7.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 71.44 111.141 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.811 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -117.97 173.19 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 71.54 110.884 179.903 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 6.0 t70 55.17 31.16 15.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.13 110.851 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.429 ' CA ' HD12 ' A' ' 102' ' ' LEU . 0.6 OUTLIER -149.59 139.12 21.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 70.42 110.848 -179.862 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . 0.782 ' HB2' HD13 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -133.43 149.2 71.69 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.588 0.708 . . . . 62.35 110.879 -179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.83 -29.83 22.91 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.665 2.244 . . . . 55.15 112.341 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -59.02 -33.43 70.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 73.33 111.075 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 10.3 mm -98.87 -22.65 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 63.54 111.097 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -76.17 -27.53 56.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.154 -0.475 . . . . 61.13 110.886 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.551 ' N ' ' HD2' ' A' ' 131' ' ' PRO . 2.1 tp -66.65 -57.47 11.95 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.709 . . . . 63.53 110.879 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.2 Cg_endo -69.74 -6.5 18.75 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.686 2.257 . . . . 61.23 112.378 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -51.78 -29.7 20.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 72.23 110.855 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.438 HD12 HD13 ' A' ' 135' ' ' LEU . 0.2 OUTLIER -95.67 -30.46 13.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.464 . . . . 65.05 110.959 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.66 39.68 5.21 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.761 -0.733 . . . . 63.3 112.482 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.438 HD13 HD12 ' A' ' 133' ' ' LEU . 8.1 mp -116.23 -20.72 9.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.851 0.358 . . . . 71.21 110.919 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.547 ' HB2' ' HG ' ' A' ' 130' ' ' LEU . . . -51.36 153.52 2.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 42.54 111.097 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 51.8 mmtt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 63.12 110.873 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 mtm . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.827 0.346 . . . . 72.11 110.887 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.06 146.47 26.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.14 110.948 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -138.2 -41.71 0.52 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.229 -0.442 . . . . 71.33 110.884 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -85.89 163.74 17.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 71.24 110.902 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -104.92 -23.49 12.98 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.147 -0.478 . . . . 61.14 110.844 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.4 pt -52.74 -27.66 12.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.54 111.138 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.445 ' HA ' HD23 ' A' ' 10' ' ' LEU . . . -54.87 -37.06 65.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 72.44 111.09 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.56 ' HA2' HG22 ' A' ' 11' ' ' THR . . . -76.69 -34.13 44.78 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.714 -0.755 . . . . 52.32 112.455 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG21 ' OG1' ' A' ' 97' ' ' THR . 5.0 mp -75.48 -30.54 22.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.857 0.36 . . . . 74.25 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.445 HD23 ' HA ' ' A' ' 7' ' ' ALA . 0.4 OUTLIER -85.31 -27.12 26.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 71.45 110.911 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.56 HG22 ' HA2' ' A' ' 8' ' ' GLY . 4.8 t -87.86 -20.9 25.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 73.45 111.105 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 26.2 t -85.92 -67.02 0.84 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 51.55 110.841 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -127.89 135.35 49.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 73.34 111.158 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ptt180 -110.42 103.92 12.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.255 -0.43 . . . . 73.13 110.885 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.595 HG22 HG23 ' A' ' 71' ' ' VAL . 90.8 m -139.41 143.62 37.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 65.3 111.139 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.703 HG21 HD13 ' A' ' 36' ' ' LEU . 5.4 mp -128.15 137.05 58.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.44 111.097 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.702 ' HB2' HG21 ' A' ' 71' ' ' VAL . . . -125.25 140.43 52.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.25 111.102 179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.635 HD22 ' HB2' ' A' ' 21' ' ' ALA . 3.2 tt -116.16 134.8 54.53 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.458 . . . . 73.42 110.884 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 30.3 t -106.78 124.94 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 73.22 111.12 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 82.35 51.2 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.803 -0.713 . . . . 54.32 112.497 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.635 ' HB2' HD22 ' A' ' 18' ' ' LEU . . . -89.22 112.08 23.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.784 0.326 . . . . 72.22 111.122 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -128.12 -169.19 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 71.53 110.884 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -92.91 44.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.17 -0.468 . . . . 72.01 110.845 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -108.71 87.67 4.61 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.568 0.699 . . . . 73.04 110.868 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 -7.48 21.16 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.677 2.251 . . . . 74.05 112.323 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -99.42 17.51 20.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 53.45 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.8 mtt180 -114.79 156.44 44.95 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.582 0.706 . . . . 70.42 110.878 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.452 ' HA ' ' HG2' ' A' ' 31' ' ' ARG . 53.5 Cg_endo -69.79 -23.17 30.95 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.663 2.242 . . . . 71.13 112.324 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -77.01 -19.07 57.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.436 . . . . 45.11 110.88 -179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.6 t80 -87.3 -46.58 9.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.093 -0.503 . . . . 74.51 110.919 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.452 ' HG2' ' HA ' ' A' ' 28' ' ' PRO . 5.0 ptp180 -53.55 -39.43 64.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 73.1 110.866 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.756 HG11 ' CZ ' ' A' ' 77' ' ' PHE . 34.1 t -77.24 -31.19 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 75.22 111.103 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' MET . . . . . 0.49 ' SD ' HG11 ' A' ' 43' ' ' VAL . 14.6 tpt -59.0 -64.51 0.91 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.463 . . . . 71.24 110.87 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -64.49 -20.64 66.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.258 -0.428 . . . . 73.32 110.893 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.71 ' OH ' HD23 ' A' ' 130' ' ' LEU . 6.9 t80 -75.07 -47.77 27.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 73.1 110.925 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.703 HD13 HG21 ' A' ' 16' ' ' ILE . 53.1 mt -64.21 -40.87 96.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.09 -0.505 . . . . 71.21 110.911 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.41 ' HG ' HG21 ' A' ' 43' ' ' VAL . 50.9 mt -66.62 -41.82 87.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 74.51 110.918 179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -53.54 -51.15 63.81 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.864 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' NE2' ' HB1' ' A' ' 136' ' ' ALA . 20.5 mm100 -56.74 -25.1 53.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.22 -0.445 . . . . 71.11 110.891 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.79 51.59 1.37 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.715 -0.755 . . . . 71.42 112.535 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TYR . . . . . . . . . . . . . 35.9 m-85 -117.08 172.89 6.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.909 0.385 . . . . 75.23 110.903 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -94.04 109.05 20.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.125 -0.489 . . . . 65.51 110.863 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.49 HG11 ' SD ' ' A' ' 33' ' ' MET . 19.6 t -109.41 144.58 17.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 71.1 111.154 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 62.5 mt -134.25 78.13 58.94 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.633 0.73 . . . . 75.44 111.126 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.439 ' HD3' HG12 ' A' ' 43' ' ' VAL . 54.2 Cg_endo -69.76 134.26 27.55 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.612 2.208 . . . . 62.42 112.369 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 48.7 t -127.1 122.27 59.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.231 -0.44 . . . . 65.21 111.168 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -146.34 152.06 45.38 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 75.41 110.859 -179.808 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -13.94 35.39 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.65 2.234 . . . . 74.34 112.338 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.5 tppt? -106.03 -30.65 9.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 64.52 110.854 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.9 p -78.15 -3.77 6.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.443 . . . . 70.43 111.145 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.571 ' HB2' ' CA ' ' A' ' 62' ' ' ALA . . . -64.93 95.32 0.15 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 75.24 111.111 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.24 11.38 7.48 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.716 -0.754 . . . . 70.41 112.499 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 13.8 ptmm? -142.95 157.62 44.39 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.89 0.376 . . . . 74.1 110.888 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -101.17 113.53 26.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.247 -0.433 . . . . 63.45 111.144 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LEU . . . . . . . . . . . . . 15.2 tp -95.76 116.62 29.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 64.22 110.909 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.406 HD12 ' HG3' ' A' ' 33' ' ' MET . 17.7 mt 58.27 22.76 9.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.22 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 96.83 -9.8 66.12 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.728 -0.749 . . . . 64.01 112.489 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -94.72 131.42 40.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.79 0.329 . . . . 75.54 110.87 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 8.6 tp60 -63.21 135.49 57.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 62.42 110.939 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -90.86 166.78 31.49 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.723 -0.751 . . . . 72.14 112.49 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -154.24 137.2 15.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.867 0.365 . . . . 73.11 110.929 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.571 ' CA ' ' HB2' ' A' ' 51' ' ' ALA . . . -64.6 -24.44 67.59 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 42.1 111.117 179.828 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . . . . . . . . . 8.1 t -166.75 153.43 8.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 75.02 111.158 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.425 ' CD1' HG21 ' A' ' 93' ' ' ILE . 3.9 pp -61.95 -17.87 58.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 53.1 110.96 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -89.46 4.03 50.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.138 -0.483 . . . . 60.44 111.09 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 50.7 t0 -99.19 -23.2 15.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.206 -0.452 . . . . 65.12 110.901 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.433 HG23 ' HD2' ' A' ' 68' ' ' PRO . 7.2 p -94.07 133.05 28.1 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.629 0.728 . . . . 54.02 111.164 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PRO . . . . . 0.433 ' HD2' HG23 ' A' ' 67' ' ' VAL . 54.0 Cg_endo -69.74 -42.21 3.62 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.689 2.259 . . . . 75.23 112.362 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.2 tp10 -59.65 151.12 25.6 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.919 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 35.6 mttm -111.73 133.56 53.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 74.04 110.891 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.702 HG21 ' HB2' ' A' ' 17' ' ' ALA . 7.2 p -84.27 144.09 10.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 53.33 111.131 179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -91.55 -24.32 19.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.55 110.859 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.568 ' H ' HG22 ' A' ' 71' ' ' VAL . 3.0 ttm -144.22 117.26 8.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 62.04 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.637 HG22 HG11 ' A' ' 71' ' ' VAL . 58.3 t -94.92 111.0 24.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 74.41 111.149 179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -90.81 114.35 26.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 71.1 110.856 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 62.0 t -103.62 114.92 44.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 74.14 111.107 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PHE . . . . . 0.756 ' CZ ' HG11 ' A' ' 32' ' ' VAL . 25.6 m-85 -119.31 -9.94 9.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 75.4 110.93 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ARG . . . . . . . . . . . . . 47.8 mtp85 -51.48 -74.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.097 -0.501 . . . . 73.34 110.846 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ASN . . . . . . . . . . . . . 17.6 t30 -168.98 -175.78 2.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 71.04 110.909 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 89.0 p -74.95 -53.15 9.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 75.42 110.87 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -53.53 -36.01 61.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 71.42 110.895 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . 0.424 ' O ' HG23 ' A' ' 86' ' ' VAL . . . -68.8 -28.54 66.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 25.31 111.061 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -52.86 -41.09 63.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 54.14 111.117 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' TRP . . . . . . . . . . . . . 36.3 t-105 -66.57 -54.35 24.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 73.43 110.946 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -58.18 -40.33 93.58 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 73.14 112.442 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 82' ' ' ALA . 90.8 t -74.34 -33.79 34.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.88 0.372 . . . . 63.34 111.163 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ALA . . . . . 0.461 ' HB3' HD23 ' A' ' 112' ' ' LEU . . . -60.89 -57.41 12.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 72.52 111.085 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -52.02 -44.79 64.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 72.32 110.916 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -62.51 -43.97 97.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 65.41 110.923 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -58.67 -39.76 81.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 53.31 111.098 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 17.3 mt -75.0 -23.15 17.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 74.44 111.197 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ALA . . . . . . . . . . . . . . . -69.39 -51.44 36.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.126 -0.488 . . . . 63.43 111.096 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ILE . . . . . 0.425 HG21 ' CD1' ' A' ' 64' ' ' LEU . 2.4 pp -71.66 -27.81 29.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.444 . . . . 74.42 111.131 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLY . . . . . . . . . . . . . . . 104.15 51.99 0.91 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.788 -0.72 . . . . 75.1 112.518 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -60.84 -170.34 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.841 0.353 . . . . 71.12 111.13 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 12.5 mtpp -127.41 -38.82 1.91 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 72.12 110.887 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.458 ' OG1' HG21 ' A' ' 9' ' ' ILE . 1.5 m -148.04 158.37 44.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.439 . . . . 72.13 111.113 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD23 HG23 ' A' ' 120' ' ' VAL . 8.1 tp -136.64 130.98 33.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.456 . . . . 72.13 110.94 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TRP . . . . . 0.622 ' CH2' HG11 ' A' ' 121' ' ' VAL . 6.4 t-105 -128.74 133.87 48.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 73.42 110.905 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.622 HD12 ' HB3' ' A' ' 122' ' ' MET . 22.1 mt -111.15 -168.0 1.25 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.267 -0.424 . . . . 75.24 110.943 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLN . . . . . 0.706 ' O ' HG12 ' A' ' 104' ' ' VAL . 3.5 mm-40 -86.6 158.04 19.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 70.02 110.899 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.554 HD12 ' HA ' ' A' ' 124' ' ' ARG . 2.5 tp -80.34 131.74 35.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 70.42 110.852 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLY . . . . . . . . . . . . . . . 102.45 -13.14 56.9 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.755 -0.736 . . . . 42.22 112.471 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.706 HG12 ' O ' ' A' ' 101' ' ' GLN . 9.2 p -93.82 149.17 4.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.792 0.329 . . . . 74.14 111.134 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 81.0 mt -142.96 111.2 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.11 111.086 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -125.62 87.76 2.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 54.22 110.894 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -53.91 -28.4 36.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 62.32 110.862 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -72.1 -50.14 30.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 62.41 110.939 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.7 -23.58 64.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 64.13 111.101 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.73 ' HA ' HG21 ' A' ' 120' ' ' VAL . . . -73.65 -52.17 14.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 53.04 111.131 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.1 p -68.77 -32.8 56.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 71.12 111.139 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.461 HD23 ' HB3' ' A' ' 87' ' ' ALA . 25.0 tp -52.68 -28.76 23.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.147 -0.479 . . . . 73.3 110.891 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.467 ' HB1' ' HB3' ' A' ' 118' ' ' LEU . . . -87.42 -32.52 19.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 73.32 111.112 179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 6.3 ttp180 -61.43 -39.67 91.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.447 . . . . 62.42 110.845 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -52.84 -31.49 39.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 64.31 110.89 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -99.49 -24.12 14.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 61.42 111.084 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLY . . . . . . . . . . . . . . . 107.51 -12.07 39.32 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.739 -0.743 . . . . 62.4 112.46 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LEU . . . . . 0.467 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 3.0 tp -51.77 148.8 5.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.767 0.318 . . . . 72.43 110.912 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 4.6 m -86.39 98.73 11.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 63.51 110.876 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' VAL . . . . . 0.73 HG21 ' HA ' ' A' ' 110' ' ' ALA . 7.4 p -91.95 125.57 44.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 72.51 111.088 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.622 HG11 ' CH2' ' A' ' 99' ' ' TRP . 42.9 t -128.96 109.3 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 73.43 111.117 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' MET . . . . . 0.622 ' HB3' HD12 ' A' ' 100' ' ' LEU . 0.0 OUTLIER -115.22 179.6 3.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 60.35 110.841 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASP . . . . . . . . . . . . . 14.1 t0 51.86 38.08 22.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 71.53 110.892 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . 0.554 ' HA ' HD12 ' A' ' 102' ' ' LEU . 26.6 mtt-85 -151.97 136.27 16.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 64.21 110.903 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' CYS . . . . . . . . . . . . . 18.6 t -108.75 129.3 24.12 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 71.05 110.889 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 -19.93 35.57 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.669 2.246 . . . . 64.25 112.333 -179.911 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -70.55 -30.36 67.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 62.03 111.068 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 16.8 mm -98.52 -23.6 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 74.12 111.194 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLU . . . . . . . . . . . . . 4.3 tm-20 -79.53 -42.72 24.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.158 -0.474 . . . . 54.41 110.9 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LEU . . . . . 0.71 HD23 ' OH ' ' A' ' 35' ' ' TYR . 2.4 tp -51.06 -57.09 15.0 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.647 0.737 . . . . 74.23 110.919 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PRO . . . . . 0.556 ' HD2' ' N ' ' A' ' 130' ' ' LEU . 54.0 Cg_endo -69.76 -4.96 15.07 Favored 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.734 2.289 . . . . 70.22 112.317 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 1.9 ptt180 -78.82 -36.42 42.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 52.22 110.813 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -113.88 -30.9 6.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 74.44 110.901 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -95.31 -23.61 18.94 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.74 -0.743 . . . . 45.04 112.477 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 2.5 tp 64.41 26.52 13.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 74.32 110.904 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 130' ' ' LEU . . . -50.67 141.61 12.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 64.03 111.097 179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LYS . . . . . . . . . . . . . 9.9 mmmm . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 75.22 110.9 179.995 . . . . . . . . 0 0 . 1 stop_ save_