data_6scw_residue ############################ # Computer software used # ############################ 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 6scw _Structure_validation_residue.Date_analyzed 2020-08-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 74.23 110.923 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.89 168.12 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.13 111.142 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.03 142.99 46.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.913 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 109.41 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -80.47 -27.74 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -139.97 135.24 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.837 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.42 126.92 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.964 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -21.79 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.869 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.5 mm-40 64.35 -162.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.865 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.72 159.11 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 73.31 110.882 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.11 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 73.24 112.356 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 17.44 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.68 161.93 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.403 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 8.2 t -122.96 111.93 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.102 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.3 m -73.57 122.58 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 65.12 111.193 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.66 152.49 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.913 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -113.73 127.11 55.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -41.14 104.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.17 30.6 3.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 74.03 112.512 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.93 160.05 32.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.14 110.858 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.61 142.78 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.13 111.114 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.06 160.4 36.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.897 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -99.62 112.58 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.58 144.63 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.82 -60.65 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.925 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.35 -69.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 73.02 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.26 18.21 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.873 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.5 m -99.73 -33.02 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 73.21 111.171 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -97.53 99.92 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -48.34 -50.35 30.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.906 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -49.12 -45.72 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -141.72 117.36 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.9 m0 -98.36 106.97 19.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 74.31 110.938 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.78 128.86 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.917 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.84 170.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.167 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 53.2 tt0 -122.2 126.96 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 65.52 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.54 131.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.47 67.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.42 36.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 84.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.899 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -92.89 149.1 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.9 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.9 -110.8 0.23 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.498 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.0 m-85 -140.81 126.14 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 75.4 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.32 136.98 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 73.34 111.156 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.23 . . . . 75.21 112.379 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.12 -56.74 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.98 -34.08 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.117 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.49 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.959 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.87 170.67 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 73.24 111.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -155.71 114.3 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.899 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.31 110.906 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.885 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.351 . . . . 74.41 110.922 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.4 m -147.67 168.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.03 111.111 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 142.52 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 62.41 110.923 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.75 109.4 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.02 111.142 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -80.62 -27.69 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.4 110.844 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -139.97 135.36 32.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.86 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.51 127.18 50.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.929 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -21.65 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.4 mm-40 64.15 -162.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.57 159.13 44.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.658 0.742 . . . . 72.24 110.855 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.04 31.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 61.45 112.406 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.42 17.68 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.871 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.02 161.7 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 9.3 t -122.87 111.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.128 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.3 m -73.64 123.0 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.159 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.12 152.5 49.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.884 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -113.57 127.07 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -41.05 104.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.893 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.2 30.06 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 40.13 112.469 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.39 160.91 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 75.42 110.887 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.28 142.73 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.115 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.52 160.8 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.934 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -99.7 111.35 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 74.01 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.88 145.65 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.913 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.13 -60.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.892 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -88.38 -70.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 65.04 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.29 17.9 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.83 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 79.0 m -99.25 -33.02 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.106 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -97.53 99.4 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.48 -50.57 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 65.01 110.92 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -48.97 -47.71 43.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.857 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -139.38 117.16 11.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.957 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.3 m0 -98.44 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.58 129.48 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 72.31 110.891 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.59 170.86 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 62.14 111.138 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.14 125.76 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 70.41 110.896 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.32 132.44 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.14 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.75 66.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.876 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t0 41.59 36.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.829 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 85.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.88 147.93 22.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.94 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.49 -111.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.504 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.9 m-85 -141.25 125.91 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 75.42 110.906 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.19 137.06 20.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 75.13 111.128 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.21 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 73.42 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.98 -56.48 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.02 111.131 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.95 -34.23 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -95.66 40.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.28 170.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.01 111.107 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.75 114.73 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.92 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 91.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.85 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.912 179.888 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 74.15 110.899 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.83 168.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.165 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.12 142.8 47.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.95 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.92 109.3 3.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -80.5 -27.48 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.955 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -140.22 135.35 32.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.79 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.868 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.44 127.05 50.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.907 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -21.78 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 74.11 110.932 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.3 mm-40 64.34 -162.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -174.92 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.64 159.14 44.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.708 0.766 . . . . 52.45 110.856 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.95 31.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.715 2.277 . . . . 72.1 112.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.46 17.51 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.81 161.66 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.4 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 9.2 t -122.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.143 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.7 m -73.53 122.93 22.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.04 152.49 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.888 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -113.53 127.0 55.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.873 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.05 104.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.907 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.18 30.02 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 72.31 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.46 160.58 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 73.12 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.95 142.72 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.45 111.143 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.38 160.8 34.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 m -99.48 111.25 23.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.82 145.71 55.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.52 -60.97 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.891 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.29 -70.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.931 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.18 18.35 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.87 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 83.6 m -99.64 -33.14 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 73.14 111.168 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -97.05 99.47 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -47.79 -50.48 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.933 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -48.93 -45.78 42.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.44 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -142.28 117.55 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.9 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.9 m0 -98.47 107.06 19.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 65.41 110.939 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 10.3 ttmt -58.69 129.75 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.899 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.71 170.81 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.55 111.096 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -122.02 125.83 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.888 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 m -142.34 132.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 73.01 111.126 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.71 66.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.881 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 41.56 36.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.832 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 85.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.74 147.68 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.918 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.18 -111.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.43 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 27.5 m-85 -141.37 126.22 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 73.3 110.891 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.06 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 72.41 111.114 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.9 5.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.11 112.4 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -56.76 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.082 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.85 -34.27 8.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.22 111.11 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -95.66 40.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.895 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.34 170.67 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 70.52 111.164 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -155.97 114.58 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.881 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.878 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.936 179.933 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.884 0.373 . . . . 72.44 110.915 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.9 m -150.32 163.7 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.133 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.76 140.35 49.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.956 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.32 109.75 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 62.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 -25.37 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.913 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -142.11 134.3 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.912 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.9 101.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 61.32 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 128.11 53.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.909 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -97.2 -21.78 17.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.6 mm-40 64.43 -163.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.95 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.905 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 159.07 45.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 72.52 110.844 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.07 31.31 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.685 2.257 . . . . 73.41 112.401 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 18.13 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.25 161.64 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 61.41 110.919 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 10.6 t -123.09 112.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.159 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.4 m -73.46 124.03 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 73.3 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.79 152.53 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.841 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.22 126.32 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -41.41 104.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.876 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.08 28.05 4.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 65.44 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.57 179.09 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 72.43 110.856 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.21 141.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.54 111.137 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.54 159.42 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.91 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -100.38 113.64 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.202 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 145.16 56.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.77 -60.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.924 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.43 -70.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.909 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.22 18.15 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.857 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.1 m -99.47 -33.24 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.149 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -97.46 99.36 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -48.01 -49.58 30.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -49.71 -45.87 49.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 55.21 110.825 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -141.68 117.46 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.7 m0 -98.48 107.72 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.26 129.46 42.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.92 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.4 m -143.13 167.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 72.12 111.158 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 16.7 tt0 -118.79 127.82 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.877 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.08 132.04 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.162 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.21 67.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.06 37.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 62.1 110.804 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 86.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.829 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -93.9 150.79 20.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.895 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 -110.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 45.14 112.458 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.5 m-85 -141.23 126.07 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 70.52 110.912 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.87 138.05 21.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 74.3 111.142 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 71.01 112.354 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.71 -56.72 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 72.31 111.138 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.34 -33.57 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 45.41 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -94.93 39.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.968 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.35 168.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 75.43 111.153 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 112.41 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.869 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 90.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.902 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.4 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.909 179.954 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.874 0.369 . . . . 64.41 110.938 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 m -146.5 166.43 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.123 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.2 142.32 46.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.78 111.87 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.22 111.073 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -84.66 -29.65 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.934 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -136.88 137.98 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.915 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.54 98.78 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.02 131.82 48.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.939 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -97.26 18.11 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 73.31 110.916 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 43.19 -161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.23 110.917 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.73 162.3 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 73.43 110.854 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -24.46 29.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 75.31 112.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.24 19.81 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -112.59 162.68 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.68 132.85 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 72.32 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -68.26 117.28 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.153 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 tpp -101.12 129.53 47.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 71.34 110.892 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mmtm -121.54 98.73 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.88 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' LYS . 24.2 tttt -36.38 108.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.95 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.26 32.01 5.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.53 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -177.42 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 75.12 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.33 141.01 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.121 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.85 157.19 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.951 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -97.17 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.121 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.25 144.78 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -119.7 -59.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.03 110.872 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.13 -70.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.406 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.3 17.88 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.848 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.3 m -99.11 -32.6 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.143 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.4 100.13 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.872 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -48.23 -50.07 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.879 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -49.42 -47.84 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.879 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -138.05 117.09 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 21.6 m0 -98.14 105.86 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.938 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.43 130.8 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.91 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.46 171.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 72.4 111.162 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -121.09 123.67 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.52 132.15 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.21 111.154 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.53 67.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 40.94 37.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 85.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.906 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 144.74 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 73.24 110.909 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.61 -112.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 71.54 112.476 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 32.1 m-85 -143.27 125.26 15.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 72.13 110.892 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.88 141.7 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 73.32 111.1 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 119.68 6.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 75.44 112.353 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.2 -56.14 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 71.13 111.101 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -32.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.065 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -94.31 39.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 75.45 110.91 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.61 171.45 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 74.21 111.115 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -153.88 113.15 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.881 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 90.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 75.34 110.883 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 74.04 110.912 179.895 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.856 0.36 . . . . 73.1 110.926 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -146.02 166.89 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.124 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -115.87 143.87 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.21 107.27 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 62.21 111.1 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -78.53 -26.02 45.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -142.53 132.67 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 103.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.02 110.853 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.11 126.46 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.914 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -96.72 20.67 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 70.22 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 44.21 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -177.89 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 163.03 22.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.691 0.757 . . . . 74.44 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -26.12 27.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 75.34 112.356 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 21.57 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.856 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -112.16 163.8 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.0 t -121.66 129.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.118 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -85.05 125.16 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.21 111.112 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.35 151.23 51.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.7 129.87 55.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.884 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -43.33 103.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.9 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.59 28.36 5.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 72.15 112.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.46 170.39 9.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.78 0.324 . . . . 72.31 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.15 142.34 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.15 111.156 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.17 160.74 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.895 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m -99.25 107.75 20.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 64.4 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.19 148.0 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -122.36 -60.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 72.02 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.5 -70.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 54.41 110.872 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER 67.98 17.79 9.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 65.05 110.859 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -99.18 -33.65 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 71.31 111.148 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -96.86 99.54 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.855 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -47.08 -50.87 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -48.82 -48.03 41.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 64.31 110.866 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -138.7 116.99 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.441 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.1 m0 -98.56 105.46 17.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.912 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.83 134.04 56.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 75.03 110.901 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.31 179.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 65.42 111.129 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.5 121.36 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.8 131.24 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 75.23 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.68 66.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.886 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.02 37.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.55 110.851 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.22 86.01 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.856 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.62 141.44 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.28 -114.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 42.01 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 29.8 m-85 -143.24 125.13 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 75.54 110.883 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.05 139.75 21.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 71.24 111.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.655 2.236 . . . . 74.41 112.348 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.74 -54.74 38.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.1 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.11 -34.49 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.54 111.093 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -95.51 40.14 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.936 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.86 170.0 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 114.94 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.929 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.939 179.893 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 73.23 110.952 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 m -148.15 168.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.146 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.16 143.46 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.35 107.82 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.099 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.92 -27.5 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -139.68 133.79 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 95.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.43 110.884 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.32 128.94 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.896 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.79 -22.05 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.917 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 64.21 -163.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 159.1 44.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 73.01 110.799 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -23.13 30.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 75.54 112.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 17.1 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.43 110.832 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -112.33 161.73 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.934 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.27 111.85 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.135 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.0 m -72.91 124.73 26.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.133 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.97 151.6 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -112.39 128.7 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -42.74 104.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.923 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.55 4.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 75.33 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.97 162.42 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 75.41 110.824 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.33 142.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.139 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.01 160.51 34.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.01 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -99.14 110.73 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.82 146.29 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.944 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.5 mt -120.54 -59.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.92 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.88 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.871 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.454 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER 67.93 17.94 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.84 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.7 m -99.58 -33.31 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 63.14 111.111 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -96.81 99.47 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.54 -50.8 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.71 -45.99 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -142.08 117.61 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.8 m0 -98.67 106.38 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.886 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 132.86 54.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.921 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 m -143.85 172.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.11 111.133 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -124.65 124.41 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.86 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -140.85 130.85 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 74.14 111.096 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.63 67.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 41.54 35.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.837 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 84.19 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.874 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.25 146.41 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.24 -112.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 65.22 112.505 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -141.46 126.27 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 74.1 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.21 137.42 20.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 75.34 111.111 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.4 112.36 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.08 -57.06 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.32 111.067 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.08 -33.98 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 55.02 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -95.32 40.27 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 62.32 110.94 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 170.21 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.088 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.11 114.83 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.876 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 91.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 72.35 110.922 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.927 179.946 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 63.04 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 m -145.45 168.47 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.138 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.56 143.94 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 107.85 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.24 111.083 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -78.76 -27.73 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -139.37 133.47 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.934 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 96.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 52.5 110.88 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.35 128.95 45.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.926 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -21.09 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 64.43 170.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -153.55 23.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 157.85 34.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.685 0.755 . . . . 54.03 110.848 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -25.21 29.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.275 . . . . 73.43 112.364 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.22 13.43 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.867 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.33 163.81 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.945 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 t -123.33 111.37 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 75.1 111.139 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -73.06 121.96 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.45 111.113 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.38 152.98 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.906 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 128.28 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -41.91 104.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.925 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.79 32.22 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 52.21 112.509 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.49 158.49 37.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 75.53 110.869 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 142.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.132 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 159.75 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -99.0 112.95 24.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 73.52 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.73 143.57 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.963 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 -60.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 75.35 110.899 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.77 -69.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.893 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.17 17.44 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.55 110.864 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.5 m -99.45 -33.13 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 72.2 111.097 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.22 98.97 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.34 110.925 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -47.87 -50.16 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.873 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -49.01 -47.6 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -139.73 117.35 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.9 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.4 m0 -98.03 108.04 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 75.32 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.79 128.28 36.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.907 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 m -143.74 167.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 71.5 111.163 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.75 130.37 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.906 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.34 129.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.54 111.152 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.39 71.35 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.868 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.36 36.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 87.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.887 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 155.27 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 51.21 112.543 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 28.6 m-85 -142.38 124.78 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 74.2 110.892 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.75 138.09 20.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 75.13 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 117.84 5.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 75.52 112.357 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.16 -56.22 23.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.151 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.121 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -95.34 40.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.97 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.54 170.54 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.2 111.153 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -155.14 114.28 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.855 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 91.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.902 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.899 179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.815 0.34 . . . . 75.15 110.975 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.93 167.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.177 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.58 141.12 48.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 107.44 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.106 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -78.14 -27.97 48.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -139.07 133.85 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.61 94.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.871 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.03 130.25 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.916 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.97 -20.59 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 63.95 171.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.92 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.16 24.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.841 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.34 157.8 34.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 73.2 110.827 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -24.84 29.37 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 74.52 112.346 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.73 15.11 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 75.43 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -113.38 162.97 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.922 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -123.73 112.05 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.03 111.103 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -72.97 126.21 29.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 70.35 111.131 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.6 151.55 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.88 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 126.11 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -40.52 106.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 24.21 7.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.473 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.06 -179.11 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 71.35 110.841 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.91 139.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.2 111.14 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.75 160.07 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.964 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -98.8 110.72 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.2 144.56 55.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.932 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -119.74 -60.62 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.902 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.8 -70.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.31 17.63 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.848 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -99.31 -33.28 10.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 73.03 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -96.91 99.89 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -48.66 -50.2 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.01 -45.81 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.877 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -141.86 117.62 10.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.0 m0 -97.61 107.42 19.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.93 130.59 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.943 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 m -142.59 171.37 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.154 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -122.8 126.62 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.87 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.29 126.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.119 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.87 70.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 41.49 35.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.19 83.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.8 148.85 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.888 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.96 -111.81 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 71.52 112.521 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 33.5 m-85 -143.47 126.38 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 74.31 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.82 139.99 22.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 63.2 111.138 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.27 6.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 73.52 112.308 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.38 -56.46 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.085 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.13 -33.83 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.091 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -95.22 40.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 74.21 110.95 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.29 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 63.24 111.147 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 114.21 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.907 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 90.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.933 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.931 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 74.43 110.906 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 m -145.54 166.28 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.137 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.27 141.96 47.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.946 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 109.99 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.079 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.26 -29.3 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -140.48 135.78 32.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.73 104.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 121.79 45.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.954 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -95.26 13.86 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.77 -161.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.9 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.44 163.06 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 64.23 110.81 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.29 29.96 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.258 . . . . 65.03 112.341 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -92.2 16.54 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.877 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -111.13 163.87 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.27 131.83 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.11 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -88.48 121.14 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.113 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 153.94 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.55 110.85 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -119.3 128.31 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 75.24 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -40.81 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 74.4 110.876 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.78 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 71.33 112.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.38 154.02 49.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 73.24 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 tp -97.31 143.06 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 65.2 111.131 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.67 155.55 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.912 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 m -97.49 108.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.12 146.37 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.923 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -61.6 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.908 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.86 -69.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.35 18.04 10.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.88 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.4 m -99.93 -33.53 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 62.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -96.96 99.3 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -47.94 -50.51 26.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.92 -46.14 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 61.11 110.826 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -141.45 116.99 10.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.7 m0 -98.09 107.64 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.75 128.56 37.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.904 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.57 165.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.31 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -116.93 128.72 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 65.12 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -146.22 134.23 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.161 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.56 66.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 44.11 110.871 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.5 37.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.9 89.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.88 149.79 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.935 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.98 -110.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 72.41 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 23.9 m-85 -142.7 123.73 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 73.45 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.68 139.77 21.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.667 0.746 . . . . 70.35 111.145 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.264 . . . . 74.44 112.33 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.14 20.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.43 111.083 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.33 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.24 111.08 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.95 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.958 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.02 170.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.41 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.18 115.55 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 91.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.92 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.916 179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.799 0.333 . . . . 74.33 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 71.52 -68.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 64.15 110.849 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 65.35 76.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t 38.41 42.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 73.31 111.111 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.35 63.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 64.21 112.468 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.44 133.4 35.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 71.52 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.07 166.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 72.22 110.873 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.62 151.37 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 74.23 110.923 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 20.8 m -146.89 168.12 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.13 111.142 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.03 142.99 46.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.913 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.95 109.41 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.113 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 tt -80.47 -27.74 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.42 110.928 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -139.97 135.24 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.837 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.42 126.92 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.964 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.26 -21.79 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 73.13 110.869 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.403 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.5 mm-40 64.35 -162.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 73.05 110.865 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.72 159.11 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 73.31 110.882 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.11 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 73.24 112.356 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 17.44 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.42 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.68 161.93 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.403 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 8.2 t -122.96 111.93 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.102 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.3 m -73.57 122.58 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 65.12 111.193 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.66 152.49 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.913 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -113.73 127.11 55.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -41.14 104.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.17 30.6 3.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 74.03 112.512 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.93 160.05 32.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.14 110.858 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.61 142.78 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.13 111.114 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.06 160.4 36.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.897 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -99.62 112.58 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 73.43 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.58 144.63 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -118.82 -60.65 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.925 179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.35 -69.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 73.02 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.435 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.26 18.21 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.873 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.5 m -99.73 -33.02 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 73.21 111.171 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -97.53 99.92 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -48.34 -50.35 30.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.906 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -49.12 -45.72 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -141.72 117.36 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.435 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.9 m0 -98.36 106.97 19.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 74.31 110.938 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.405 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.78 128.86 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.917 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.6 m -141.84 170.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.167 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 53.2 tt0 -122.2 126.96 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 65.52 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.54 131.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 74.2 111.152 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.47 67.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 75.21 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.42 36.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 72.53 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 84.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.899 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -92.89 149.1 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.53 110.9 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.9 -110.8 0.23 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.498 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.0 m-85 -140.81 126.14 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 75.4 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.32 136.98 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 73.34 111.156 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.23 . . . . 75.21 112.379 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.12 -56.74 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 72.34 111.058 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.98 -34.08 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.117 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.49 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.959 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.87 170.67 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 73.24 111.11 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -155.71 114.3 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.899 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.31 110.906 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.8 mt -121.12 57.18 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.885 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 73.32 110.863 179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.744 0.307 . . . . 72.13 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 72.0 -69.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 71.5 110.866 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.93 35.59 25.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 74.33 110.878 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.2 m -156.75 -76.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 73.21 111.139 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.81 -85.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.754 . . . . 53.12 112.509 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 156.44 30.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 71.41 110.947 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.53 152.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 73.31 110.877 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -136.81 149.59 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.4 m -147.67 168.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 73.03 111.111 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.04 142.52 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 62.41 110.923 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.75 109.4 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 75.02 111.142 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -80.62 -27.69 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.4 110.844 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -139.97 135.36 32.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.86 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.51 127.18 50.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.929 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -96.51 -21.65 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.33 110.933 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.4 mm-40 64.15 -162.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 71.11 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.57 159.13 44.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.658 0.742 . . . . 72.24 110.855 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.04 31.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 61.45 112.406 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.42 17.68 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.871 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.02 161.7 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 9.3 t -122.87 111.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 73.41 111.128 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 86.3 m -73.64 123.0 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.159 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.12 152.5 49.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.884 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -113.57 127.07 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 73.45 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -41.05 104.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.893 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.2 30.06 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 40.13 112.469 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.39 160.91 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 75.42 110.887 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -108.28 142.73 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 74.4 111.115 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.52 160.8 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.53 110.934 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -99.7 111.35 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 74.01 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.88 145.65 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.913 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.13 -60.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 72.45 110.892 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -88.38 -70.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 65.04 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.445 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.29 17.9 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 74.41 110.83 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 79.0 m -99.25 -33.02 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.106 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -97.53 99.4 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.33 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.48 -50.57 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 65.01 110.92 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -48.97 -47.71 43.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.857 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -139.38 117.16 11.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.957 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.445 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.3 m0 -98.44 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 74.03 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.58 129.48 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 72.31 110.891 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.4 m -141.59 170.86 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 62.14 111.138 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -122.14 125.76 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 70.41 110.896 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.4 m -142.32 132.44 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.35 111.14 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.75 66.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.876 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t0 41.59 36.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.829 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 85.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.88 147.93 22.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 75.33 110.94 -179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.49 -111.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.504 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.9 m-85 -141.25 125.91 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 75.42 110.906 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.19 137.06 20.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 75.13 111.128 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 118.21 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 73.42 112.321 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.98 -56.48 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 75.02 111.131 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.95 -34.23 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -95.66 40.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.28 170.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 74.01 111.107 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.75 114.73 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.24 110.92 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 91.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.85 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.0 mt -120.71 56.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.912 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.828 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.729 0.3 . . . . 74.53 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 71.87 -69.11 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 71.15 110.89 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.2 35.53 25.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 72.13 110.865 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -157.12 -76.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 54.32 111.162 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.5 0.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 65.13 112.524 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.37 156.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.708 0.289 . . . . 74.44 110.934 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.45 153.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 75.15 110.907 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -137.65 149.8 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.15 110.899 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 22.5 m -147.83 168.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.165 179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.12 142.8 47.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.95 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.92 109.3 3.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.094 179.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 tt -80.5 -27.48 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.955 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -140.22 135.35 32.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.79 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.868 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.44 127.05 50.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 72.32 110.907 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.32 -21.78 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 74.11 110.932 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.3 mm-40 64.34 -162.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 72.33 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -174.92 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 74.41 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.64 159.14 44.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.708 0.766 . . . . 52.45 110.856 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.95 31.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.715 2.277 . . . . 72.1 112.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.46 17.51 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 74.54 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.81 161.66 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.4 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 9.2 t -122.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 74.41 111.143 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.7 m -73.53 122.93 22.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 62.44 111.158 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.04 152.49 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.888 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -113.53 127.0 55.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.873 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.05 104.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 74.21 110.907 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.18 30.02 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 72.31 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -126.46 160.58 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 73.12 110.869 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -107.95 142.72 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.45 111.143 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.38 160.8 34.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 m -99.48 111.25 23.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -64.82 145.71 55.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.935 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.52 -60.97 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 74.1 110.891 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.29 -70.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.13 110.931 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.18 18.35 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.42 110.87 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 83.6 m -99.64 -33.14 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 73.14 111.168 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -97.05 99.47 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -47.79 -50.48 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.933 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -48.93 -45.78 42.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 75.44 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -142.28 117.55 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.9 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.9 m0 -98.47 107.06 19.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 65.41 110.939 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 10.3 ttmt -58.69 129.75 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 74.04 110.899 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.7 m -141.71 170.81 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 75.55 111.096 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -122.02 125.83 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.888 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 m -142.34 132.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 73.01 111.126 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.71 66.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.881 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 41.56 36.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 73.03 110.832 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 85.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.74 147.68 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.918 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.18 -111.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.43 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 27.5 m-85 -141.37 126.22 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 73.3 110.891 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.28 137.06 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 72.41 111.114 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 118.9 5.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.11 112.4 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.43 -56.76 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 73.41 111.082 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.85 -34.27 8.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 71.22 111.11 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -95.66 40.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.895 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -148.34 170.67 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 70.52 111.164 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.1 mttt -155.97 114.58 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 64.51 110.881 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.878 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.7 mt -121.2 57.13 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.936 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.885 179.837 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 75.52 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.8 t0 63.71 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.873 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.97 55.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.909 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 73.35 111.136 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.75 90.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.462 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 116.44 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 75.34 110.921 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -146.83 -173.21 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.88 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 pp -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.915 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 31.9 m -150.32 163.7 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.13 111.133 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -115.76 140.35 49.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 72.22 110.956 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.32 109.75 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 62.0 111.132 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 -25.37 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.913 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -142.11 134.3 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.912 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.9 101.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 61.32 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 128.11 53.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.909 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.0 mp0 -97.2 -21.78 17.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.911 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' HG3' ' C ' ' A' ' 23' ' ' VAL . 44.6 mm-40 64.43 -163.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 72.54 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.95 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 75.13 110.905 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 159.07 45.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 72.52 110.844 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.07 31.31 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.685 2.257 . . . . 73.41 112.401 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 18.13 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.25 161.64 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 61.41 110.919 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.402 ' C ' ' HG3' ' A' ' 17' ' ' GLU . 10.6 t -123.09 112.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.159 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.4 m -73.46 124.03 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 73.3 111.132 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.79 152.53 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.841 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.22 126.32 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -41.41 104.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.876 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.08 28.05 4.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 65.44 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.57 179.09 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 72.43 110.856 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.21 141.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.54 111.137 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -134.54 159.42 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 75.53 110.91 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -100.38 113.64 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.202 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.05 145.16 56.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 73.33 110.894 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -119.77 -60.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 74.31 110.924 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.43 -70.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.909 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.438 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.22 18.15 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.857 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.1 m -99.47 -33.24 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.149 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -97.46 99.36 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -48.01 -49.58 30.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 75.24 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -49.71 -45.87 49.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 55.21 110.825 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -141.68 117.46 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.438 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.7 m0 -98.48 107.72 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.26 129.46 42.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 73.13 110.92 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.4 m -143.13 167.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 72.12 111.158 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HA ' ' HA ' ' A' ' 50' ' ' GLN . 16.7 tt0 -118.79 127.82 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.877 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 5.2 m -143.08 132.04 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.162 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.21 67.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.06 37.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 62.1 110.804 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 86.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.829 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.408 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -93.9 150.79 20.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 75.03 110.895 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 -110.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 45.14 112.458 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.5 m-85 -141.23 126.07 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 70.52 110.912 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.87 138.05 21.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 74.3 111.142 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 71.01 112.354 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.71 -56.72 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 72.31 111.138 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.34 -33.57 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 45.41 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -94.93 39.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.968 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.35 168.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 75.43 111.153 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.74 112.41 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.869 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 90.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.22 110.902 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.4 mt -108.81 -75.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 73.54 110.909 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.861 179.844 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mtp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 71.44 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 3.8 t0 66.57 146.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.04 110.876 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 -64.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 75.15 110.892 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.0 t -132.29 37.78 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 71.14 111.137 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.22 -96.63 1.06 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 72.32 112.525 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 50.86 57.21 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 72.22 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.04 172.01 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 72.22 110.868 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -129.4 154.22 47.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 64.41 110.938 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 24.1 m -146.5 166.43 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.34 111.123 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -114.2 142.32 46.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.91 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -68.78 111.87 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 72.22 111.073 179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -84.66 -29.65 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.934 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -136.88 137.98 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 72.15 110.915 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.54 98.78 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.02 131.82 48.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.939 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -97.26 18.11 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 73.31 110.916 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 43.19 -161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 73.23 110.917 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 72.4 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.73 162.3 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 73.43 110.854 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -24.46 29.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 75.31 112.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.24 19.81 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.24 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -112.59 162.68 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 5.8 t -119.68 132.85 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 72.32 111.134 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -68.26 117.28 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.153 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 16.3 tpp -101.12 129.53 47.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 71.34 110.892 179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mmtm -121.54 98.73 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.88 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' LYS . 24.2 tttt -36.38 108.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 75.15 110.95 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.26 32.01 5.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.53 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.37 -177.42 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 75.12 110.88 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.33 141.01 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.121 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.85 157.19 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 72.54 110.951 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -97.17 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.121 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.25 144.78 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 65.44 110.899 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 6.5 mt -119.7 -59.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 73.03 110.872 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.13 -70.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.406 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.3 17.88 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 73.43 110.848 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.3 m -99.11 -32.6 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 74.34 111.143 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.4 100.13 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.872 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -48.23 -50.07 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.879 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -49.42 -47.84 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 75.33 110.879 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -138.05 117.09 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.406 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 21.6 m0 -98.14 105.86 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.938 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.43 130.8 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 75.12 110.91 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.9 m -142.46 171.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 72.4 111.162 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -121.09 123.67 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 110.874 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.52 132.15 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 73.21 111.154 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.53 67.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 73.41 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 40.94 37.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 85.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.906 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.18 144.74 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 73.24 110.909 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.61 -112.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 71.54 112.476 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.419 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 32.1 m-85 -143.27 125.26 15.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 72.13 110.892 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -111.88 141.7 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 73.32 111.1 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 119.68 6.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 75.44 112.353 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -63.2 -56.14 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 71.13 111.101 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -32.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 74.03 111.065 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 28.9 m-85 -94.31 39.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 75.45 110.91 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.61 171.45 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 74.21 111.115 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -153.88 113.15 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.42 110.881 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 90.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 75.34 110.883 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.4 mt -117.04 52.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 74.04 110.912 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 73.23 110.872 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.798 0.332 . . . . 74.43 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.415 ' O ' ' CB ' ' A' ' 3' ' ' GLU . 0.7 OUTLIER 71.25 -70.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.873 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 77.26 -49.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 62.2 110.899 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -162.79 70.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 75.21 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.81 -101.89 1.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 54.42 112.495 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.7 68.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 74.11 110.899 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.82 163.44 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.887 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.56 153.08 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.926 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.8 m -146.02 166.89 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.124 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -115.87 143.87 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.52 110.908 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.21 107.27 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 62.21 111.1 179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -78.53 -26.02 45.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.11 110.923 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -142.53 132.67 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 103.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 74.02 110.853 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.11 126.46 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.914 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -96.72 20.67 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 70.22 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 44.21 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 74.22 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -177.89 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 163.03 22.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.691 0.757 . . . . 74.44 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -26.12 27.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 75.34 112.356 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 21.57 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.856 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -112.16 163.8 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 9.0 t -121.66 129.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.118 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 5.1 m -85.05 125.16 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 75.21 111.112 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.35 151.23 51.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.8 mttm -117.7 129.87 55.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.884 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -43.33 103.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 71.21 110.9 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.59 28.36 5.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 72.15 112.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.46 170.39 9.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.78 0.324 . . . . 72.31 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.15 142.34 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.15 111.156 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.17 160.74 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.895 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m -99.25 107.75 20.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 64.4 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -60.19 148.0 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 74.5 110.891 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -122.36 -60.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 72.02 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.5 -70.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 54.41 110.872 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.441 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER 67.98 17.79 9.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 65.05 110.859 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -99.18 -33.65 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 71.31 111.148 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -96.86 99.54 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.855 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -47.08 -50.87 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -48.82 -48.03 41.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 64.31 110.866 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -138.7 116.99 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 75.12 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.441 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.1 m0 -98.56 105.46 17.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 74.3 110.912 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.83 134.04 56.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 75.03 110.901 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.6 m -142.31 179.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 65.42 111.129 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.5 121.36 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.8 131.24 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 75.23 111.128 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.68 66.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.886 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.02 37.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.55 110.851 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.22 86.01 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.856 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.62 141.44 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.28 -114.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 42.01 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.42 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 29.8 m-85 -143.24 125.13 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 75.54 110.883 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.05 139.75 21.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 71.24 111.122 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.78 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.655 2.236 . . . . 74.41 112.348 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.74 -54.74 38.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.42 111.1 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.11 -34.49 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.54 111.093 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -95.51 40.14 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.936 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.86 170.0 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.1 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.55 114.94 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.12 110.929 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.6 mt -118.14 53.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.939 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.888 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.814 0.34 . . . . 74.51 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -78.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 72.12 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 46.06 35.96 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 74.44 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.4 m -107.23 -76.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 75.33 111.138 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -90.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 71.13 112.474 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 150.28 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 74.33 110.887 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.58 144.6 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.866 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -135.66 151.31 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 73.23 110.952 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 25.8 m -148.15 168.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.146 179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.16 143.46 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 63.25 110.92 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.35 107.82 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.099 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.92 -27.5 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -139.68 133.79 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 95.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.43 110.884 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.32 128.94 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 72.11 110.896 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -96.79 -22.05 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.917 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mm-40 64.21 -163.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 73.41 110.928 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 64.35 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 159.1 44.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 73.01 110.799 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -23.13 30.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 75.54 112.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 17.1 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.43 110.832 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -112.33 161.73 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.934 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.2 t -123.27 111.85 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.135 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 82.0 m -72.91 124.73 26.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.133 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.97 151.6 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -112.39 128.7 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 74.12 110.891 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -42.74 104.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.923 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.55 4.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 75.33 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -125.97 162.42 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 75.41 110.824 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -110.33 142.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 74.11 111.139 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.01 160.51 34.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 63.01 110.898 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -99.14 110.73 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 75.44 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -62.82 146.29 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.944 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 42.5 mt -120.54 -59.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.92 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.88 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.871 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.454 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.5 OUTLIER 67.93 17.94 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.84 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.7 m -99.58 -33.31 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 63.14 111.111 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -96.81 99.47 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.54 -50.8 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 71.13 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.71 -45.99 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -142.08 117.61 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.454 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.8 m0 -98.67 106.38 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.886 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.46 132.86 54.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.52 110.921 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 15.8 m -143.85 172.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.11 111.133 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 54.8 tt0 -124.65 124.41 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 74.03 110.86 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.9 m -140.85 130.85 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 74.14 111.096 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.63 67.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 65.21 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 41.54 35.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.1 110.837 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 84.19 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 72.41 110.874 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.25 146.41 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 74.3 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.24 -112.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 65.22 112.505 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 31.3 m-85 -141.46 126.27 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 74.1 110.869 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -110.21 137.42 20.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 75.34 111.111 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.4 112.36 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.08 -57.06 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.32 111.067 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.08 -33.98 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 55.02 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -95.32 40.27 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 62.32 110.94 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -147.79 170.21 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.088 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.11 114.83 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.35 110.876 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 91.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 72.35 110.922 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 mt -120.9 56.2 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.3 110.927 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.863 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 29.7 mtm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.795 0.331 . . . . 64.54 110.874 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.62 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.0 110.847 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 50.71 28.57 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.901 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -162.7 32.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 74.05 111.156 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.73 99.13 0.99 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 74.51 112.478 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 115.77 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.69 0.281 . . . . 73.55 110.925 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.39 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 75.42 110.87 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -130.48 149.01 52.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 63.04 110.9 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 21.1 m -145.45 168.47 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.138 179.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.56 143.94 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.894 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.79 107.85 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.24 111.083 179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -78.76 -27.73 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.914 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -139.37 133.47 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 73.2 110.934 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 96.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 52.5 110.88 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.35 128.95 45.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.926 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -98.25 -21.09 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.942 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.0 mm-40 64.43 170.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.22 110.899 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -153.55 23.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 75.4 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 157.85 34.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.685 0.755 . . . . 54.03 110.848 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -25.21 29.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.275 . . . . 73.43 112.364 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.22 13.43 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.51 110.867 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.33 163.81 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.945 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 t -123.33 111.37 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 75.1 111.139 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.1 m -73.06 121.96 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.45 111.113 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.38 152.98 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.906 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.79 128.28 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 75.41 110.89 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -41.91 104.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.925 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.79 32.22 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 52.21 112.509 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -127.49 158.49 37.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 75.53 110.869 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -106.49 142.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.132 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.54 159.75 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 73.23 110.898 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -99.0 112.95 24.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 73.52 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.73 143.57 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.963 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -117.94 -60.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 75.35 110.899 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.77 -69.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 63.21 110.893 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.414 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.17 17.44 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 75.55 110.864 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.5 m -99.45 -33.13 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 72.2 111.097 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.22 98.97 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.34 110.925 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -47.87 -50.16 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.873 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -49.01 -47.6 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -139.73 117.35 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 75.52 110.9 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.414 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.4 m0 -98.03 108.04 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 75.32 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.79 128.28 36.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.21 110.907 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 m -143.74 167.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 71.5 111.163 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.75 130.37 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.24 110.906 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 4.5 m -144.34 129.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.54 111.152 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.39 71.35 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 73.43 110.868 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.36 36.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 71.54 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 87.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 74.24 110.887 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.62 155.27 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 51.21 112.543 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 28.6 m-85 -142.38 124.78 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 74.2 110.892 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.75 138.09 20.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 75.13 111.117 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 117.84 5.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 75.52 112.357 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.16 -56.22 23.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.151 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 73.44 111.121 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -95.34 40.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.97 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -146.54 170.54 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 73.2 111.153 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -155.14 114.28 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 74.53 110.855 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 91.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 74.11 110.902 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 6.9 mt -122.86 57.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 72.43 110.899 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 72.53 110.857 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 71.44 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 76.07 -43.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.897 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 50.92 63.26 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.885 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 t 37.98 42.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.68 70.3 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 74.23 112.464 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.39 116.66 32.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 74.21 110.908 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.73 -177.99 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 75.51 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -134.99 147.33 49.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 75.15 110.975 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.2 m -148.93 167.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.177 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.58 141.12 48.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.931 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 107.44 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.106 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 tt -78.14 -27.97 48.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 74.54 110.922 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -139.07 133.85 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.61 94.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.871 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -97.03 130.25 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.916 -179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -98.97 -20.59 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 73.44 110.927 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mm-40 63.95 171.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 74.12 110.92 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.16 24.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.841 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.34 157.8 34.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 73.2 110.827 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -24.84 29.37 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 74.52 112.346 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.73 15.11 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 75.43 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -113.38 162.97 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.922 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 23.8 t -123.73 112.05 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 74.03 111.103 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -72.97 126.21 29.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 70.35 111.131 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -130.6 151.55 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.88 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 126.11 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -40.52 106.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 24.21 7.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.473 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -114.06 -179.11 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 71.35 110.841 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -130.91 139.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 72.2 111.14 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -130.75 160.07 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.964 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -98.8 110.72 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -62.2 144.56 55.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.932 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 mt -119.74 -60.62 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.902 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.8 -70.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 73.01 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.416 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.31 17.63 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.848 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -99.31 -33.28 10.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 73.03 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -96.91 99.89 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 75.22 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -48.66 -50.2 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.01 -45.81 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.877 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -141.86 117.62 10.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.416 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 23.0 m0 -97.61 107.42 19.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.44 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.93 130.59 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 75.12 110.943 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.3 m -142.59 171.37 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.154 179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -122.8 126.62 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 62.24 110.87 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.6 m -140.29 126.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.119 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.87 70.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.54 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 41.49 35.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.23 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.19 83.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.8 148.85 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.888 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.96 -111.81 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 71.52 112.521 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.44 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 33.5 m-85 -143.47 126.38 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 74.31 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -110.82 139.99 22.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 63.2 111.138 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 119.27 6.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 73.52 112.308 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.38 -56.46 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 63.32 111.085 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.13 -33.83 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 63.23 111.091 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -95.22 40.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 74.21 110.95 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.29 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 63.24 111.147 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.93 114.21 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.907 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 90.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.933 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.8 mt -114.9 51.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.931 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.833 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.762 0.315 . . . . 72.4 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -104.05 52.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.875 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.48 37.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.44 110.866 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -143.02 34.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.25 111.116 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.6 98.71 2.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 71.31 112.453 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.01 125.9 35.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.305 . . . . 72.51 110.866 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -146.18 -171.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.905 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -129.04 151.15 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.43 110.906 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 17.9 m -145.54 166.28 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 74.23 111.137 179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -117.27 141.96 47.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.946 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.94 109.99 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.31 111.079 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -80.26 -29.3 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 73.12 110.9 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -140.48 135.78 32.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.73 104.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 121.79 45.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.954 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -95.26 13.86 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 73.32 110.929 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.77 -161.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 74.15 110.9 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.44 163.06 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 64.23 110.81 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.29 29.96 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.258 . . . . 65.03 112.341 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -92.2 16.54 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 74.04 110.877 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -111.13 163.87 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.2 t -120.27 131.83 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.11 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.4 m -88.48 121.14 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 75.22 111.113 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.82 153.94 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.55 110.85 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.6 mtpt -119.3 128.31 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 75.24 110.868 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -40.81 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 74.4 110.876 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.78 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 71.33 112.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -131.38 154.02 49.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 73.24 110.862 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.6 tp -97.31 143.06 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 65.2 111.131 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.1 mt -131.67 155.55 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.912 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 m -97.49 108.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -65.12 146.37 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 75.33 110.923 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -121.5 -61.6 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 75.41 110.908 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.86 -69.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 75.42 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.423 ' HA ' ' CD1' ' A' ' 42' ' ' TRP . 0.6 OUTLIER 67.35 18.04 10.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.88 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.4 m -99.93 -33.53 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 62.0 111.132 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -96.96 99.3 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -47.94 -50.51 26.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 73.51 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.92 -46.14 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 61.11 110.826 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -141.45 116.99 10.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 75.31 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.423 ' CD1' ' HA ' ' A' ' 36' ' ' SER . 22.7 m0 -98.09 107.64 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 75.4 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.75 128.56 37.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.904 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.4 m -142.57 165.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 74.31 111.117 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -116.93 128.72 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 65.12 110.86 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . . . . . . . . . 3.1 m -146.22 134.23 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 64.34 111.161 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.56 66.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 44.11 110.871 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.5 37.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.9 89.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 72.42 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.88 149.79 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.935 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.98 -110.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 72.41 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.434 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 23.9 m-85 -142.7 123.73 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 73.45 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -108.68 139.77 21.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.667 0.746 . . . . 70.35 111.145 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 119.3 6.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.264 . . . . 74.44 112.33 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.46 -56.14 20.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 63.43 111.083 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.33 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.24 111.08 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.95 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.958 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -149.02 170.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.41 111.132 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -156.18 115.55 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.882 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 91.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 73.5 110.92 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.3 mt -120.92 57.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 73.34 110.916 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 8.4 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 73.4 110.86 179.892 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 65.41 110.923 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HD13 ' A' ' 30' ' ' ILE . 20.8 m -146.89 168.12 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 62.15 111.142 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.576 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.03 142.99 46.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.913 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.95 109.41 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.113 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.9 tt -80.47 -27.74 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.928 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -139.97 135.24 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.837 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.42 126.92 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.964 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.26 -21.79 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 61.34 110.869 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.5 mm-40 64.35 -162.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.865 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.72 159.11 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 73.31 110.882 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.11 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 61.13 112.356 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 17.44 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.68 161.93 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.826 HG13 HG21 ' A' ' 46' ' ' VAL . 8.2 t -122.96 111.93 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.102 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.57 122.58 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.193 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.587 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -129.66 152.49 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.913 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -113.73 127.11 55.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -41.14 104.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.17 30.6 3.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 64.53 112.512 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.93 160.05 32.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.14 110.858 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -107.61 142.78 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 62.24 111.114 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.06 160.4 36.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.897 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -99.62 112.58 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.776 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.58 144.63 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -118.82 -60.65 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.925 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.35 -69.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.26 18.21 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.873 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.5 m -99.73 -33.02 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 61.25 111.171 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -97.53 99.92 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -48.34 -50.35 30.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.906 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -49.12 -45.72 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -141.72 117.36 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.9 m0 -98.36 106.97 19.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 74.31 110.938 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.78 128.86 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.917 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 33' ' ' LEU . 14.6 m -141.84 170.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.2 tt0 -122.2 126.96 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.54 131.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 63.13 111.152 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.47 67.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 53.24 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.42 36.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 70.22 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 84.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.899 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -92.89 149.1 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.9 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.9 -110.8 0.23 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 50.03 112.498 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.0 m-85 -140.81 126.14 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 75.4 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.601 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.32 136.98 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 73.34 111.156 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.1 Cg_endo -69.74 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.23 . . . . 75.21 112.379 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.12 -56.74 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.43 111.058 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.98 -34.08 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.117 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.49 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.959 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.87 170.67 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 63.23 111.11 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.1 mttt -155.71 114.3 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 62.12 110.899 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.906 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.8 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.885 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.351 . . . . 74.41 110.922 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.4 m -147.67 168.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.42 111.111 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.568 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.04 142.52 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.04 110.923 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.75 109.4 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 70.1 111.142 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -80.62 -27.69 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.4 110.844 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -139.97 135.36 32.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.86 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.51 127.18 50.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.929 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -96.51 -21.65 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.933 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.4 mm-40 64.15 -162.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.57 159.13 44.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.658 0.742 . . . . 55.13 110.855 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.04 31.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 55.23 112.406 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.42 17.68 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.871 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.02 161.7 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.3 t -122.87 111.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.31 111.128 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.64 123.0 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.159 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.576 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.12 152.5 49.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.884 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -113.57 127.07 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -41.05 104.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.893 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.2 30.06 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 40.13 112.469 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.39 160.91 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 75.42 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -108.28 142.73 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 70.54 111.115 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.52 160.8 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.934 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -99.7 111.35 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 73.13 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.88 145.65 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.13 -60.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 60.13 110.892 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.638 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.2 t30 -88.38 -70.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.11 110.913 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.29 17.9 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.83 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.638 ' HB ' HD22 ' A' ' 35' ' ' ASN . 79.0 m -99.25 -33.02 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.106 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -97.53 99.4 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.48 -50.57 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 65.01 110.92 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -48.97 -47.71 43.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.857 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -139.38 117.16 11.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.957 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.3 m0 -98.44 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.58 129.48 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 64.54 110.891 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.4 m -141.59 170.86 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 44.43 111.138 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 34' ' ' LEU . 44.1 tt0 -122.14 125.76 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 65.11 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.32 132.44 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.03 111.14 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.75 66.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.876 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t0 41.59 36.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.829 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 85.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -91.88 147.93 22.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.94 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.49 -111.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.504 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.9 m-85 -141.25 125.91 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 75.42 110.906 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.19 137.06 20.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 75.13 111.128 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.74 118.21 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 73.42 112.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.98 -56.48 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.131 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.95 -34.23 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -95.66 40.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.28 170.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 65.42 111.107 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -155.75 114.73 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.13 110.92 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 91.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 63.54 110.85 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 61.43 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 74.15 110.899 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.5 m -147.83 168.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.165 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.12 142.8 47.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.95 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.92 109.3 3.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.094 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.7 tt -80.5 -27.48 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.955 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -140.22 135.35 32.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.79 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.868 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.44 127.05 50.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.907 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.492 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.32 -21.78 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 73.41 110.932 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.3 mm-40 64.34 -162.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -174.92 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 52.11 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.64 159.14 44.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.708 0.766 . . . . 52.45 110.856 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.95 31.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.715 2.277 . . . . 52.45 112.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.46 17.51 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 74.5 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.81 161.66 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.2 t -122.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 53.23 111.143 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.7 m -73.53 122.93 22.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.158 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.575 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.04 152.49 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.888 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -113.53 127.0 55.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.873 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.05 104.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.44 110.907 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.18 30.02 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 63.43 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.46 160.58 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 64.43 110.869 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -107.95 142.72 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.45 111.143 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.38 160.8 34.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 m -99.48 111.25 23.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.82 145.71 55.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.935 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.52 -60.97 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 55.33 110.891 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.635 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.1 t30 -88.29 -70.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 61.4 110.931 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.606 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.18 18.35 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 62.03 110.87 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' HD22 ' A' ' 35' ' ' ASN . 83.6 m -99.64 -33.14 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 73.14 111.168 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -97.05 99.47 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -47.79 -50.48 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.54 110.933 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -48.93 -45.78 42.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 72.13 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -142.28 117.55 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.9 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.9 m0 -98.47 107.06 19.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.939 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 10.3 ttmt -58.69 129.75 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 71.23 110.899 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.7 m -141.71 170.81 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.096 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.02 125.83 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.888 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -142.34 132.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.126 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.71 66.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.881 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 41.56 36.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.02 110.832 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 85.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -91.74 147.68 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.918 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.18 -111.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 27.5 m-85 -141.37 126.22 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 73.3 110.891 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.28 137.06 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 53.41 111.114 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.76 118.9 5.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.11 112.4 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.43 -56.76 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 61.22 111.082 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.85 -34.27 8.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.11 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -95.66 40.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.895 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.34 170.67 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 64.31 111.164 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 8.1 mttt -155.97 114.58 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 52.12 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.878 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 pp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.884 0.373 . . . . 72.25 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 30' ' ' ILE . 31.9 m -150.32 163.7 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ASP . 1.6 mm? -115.76 140.35 49.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 64.12 110.956 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -66.32 109.75 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 43.32 111.132 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 -25.37 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.913 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -142.11 134.3 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.912 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.9 101.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 61.32 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 128.11 53.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.909 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HA ' HG23 ' A' ' 24' ' ' THR . 16.0 mp0 -97.2 -21.78 17.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.6 mm-40 64.43 -163.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 51.21 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.95 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 72.52 110.905 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 159.07 45.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 63.13 110.844 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.07 31.31 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.685 2.257 . . . . 73.41 112.401 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 18.13 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.25 161.64 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 52.4 110.919 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.843 HG13 HG21 ' A' ' 46' ' ' VAL . 10.6 t -123.09 112.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.159 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.4 m -73.46 124.03 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 53.34 111.132 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.542 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.79 152.53 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.841 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.22 126.32 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -41.41 104.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.876 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.08 28.05 4.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 65.44 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.778 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -119.57 179.09 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 64.14 110.856 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -126.21 141.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.54 111.137 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -134.54 159.42 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.41 110.91 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -100.38 113.64 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.202 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.05 145.16 56.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.894 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -119.77 -60.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.924 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.631 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.1 t30 -87.43 -70.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.909 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.577 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.22 18.15 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.857 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.631 ' HB ' HD22 ' A' ' 35' ' ' ASN . 82.1 m -99.47 -33.24 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.149 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -97.46 99.36 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -48.01 -49.58 30.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -49.71 -45.87 49.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 51.12 110.825 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -141.68 117.46 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.7 m0 -98.48 107.72 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.26 129.46 42.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.92 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -143.13 167.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 55.34 111.158 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HB2' HD11 ' A' ' 34' ' ' LEU . 16.7 tt0 -118.79 127.82 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.877 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.843 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 m -143.08 132.04 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.162 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.21 67.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.06 37.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 62.1 110.804 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 86.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.829 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -93.9 150.79 20.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.52 110.895 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 -110.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 30.44 112.458 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.5 m-85 -141.23 126.07 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 62.5 110.912 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.87 138.05 21.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 74.3 111.142 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.73 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 61.51 112.354 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.71 -56.72 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.11 111.138 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.34 -33.57 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 44.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -94.93 39.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.968 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -147.35 168.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 75.43 111.153 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -153.74 112.41 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.869 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 90.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.902 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HG ' ' A' ' 10' ' ' LEU . 30.4 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.909 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.874 0.369 . . . . 64.41 110.938 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HD13 ' A' ' 30' ' ' ILE . 24.1 m -146.5 166.43 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.123 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.1 mm? -114.2 142.32 46.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.91 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -68.78 111.87 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 43.12 111.073 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 12' ' ' LEU . 2.2 tm? -84.66 -29.65 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -136.88 137.98 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.54 98.78 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.02 131.82 48.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.939 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -97.26 18.11 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 55.43 110.916 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 43.19 -161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 53.24 110.917 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.73 162.3 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 65.13 110.854 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -24.46 29.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 75.31 112.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.24 19.81 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.14 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -112.59 162.68 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.907 HG13 HG21 ' A' ' 46' ' ' VAL . 5.8 t -119.68 132.85 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.11 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -68.26 117.28 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.153 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.575 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 16.3 tpp -101.12 129.53 47.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 64.44 110.892 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mmtm -121.54 98.73 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.88 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' LYS . 24.2 tttt -36.38 108.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 70.33 110.95 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.26 32.01 5.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.53 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.767 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -131.37 -177.42 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 75.12 110.88 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.612 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -130.33 141.01 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.121 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.85 157.19 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 60.35 110.951 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -97.17 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.121 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.7 mm? -62.25 144.78 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 45' ' ' GLU . 6.5 mt -119.7 -59.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 65.21 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.13 -70.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.3 17.88 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.848 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.3 m -99.11 -32.6 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.24 111.143 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.4 100.13 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.872 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -48.23 -50.07 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.879 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -49.42 -47.84 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 70.41 110.879 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -138.05 117.09 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' O ' HG13 ' A' ' 44' ' ' VAL . 21.6 m0 -98.14 105.86 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.938 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.43 130.8 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.45 110.91 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.9 m -142.46 171.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.162 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HB2' HD11 ' A' ' 34' ' ' LEU . 15.5 tt0 -121.09 123.67 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 110.874 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.907 HG21 HG13 ' A' ' 23' ' ' VAL . 3.4 m -140.52 132.15 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.154 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.53 67.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.02 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 40.94 37.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 85.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.906 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.18 144.74 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 73.01 110.909 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.61 -112.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.476 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 32.1 m-85 -143.27 125.26 15.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 72.01 110.892 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.607 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -111.88 141.7 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 73.03 111.1 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.3 Cg_endo -69.82 119.68 6.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 71.51 112.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -63.2 -56.14 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 44.24 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -32.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 70.11 111.065 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' O ' ' HE3' ' A' ' 25' ' ' MET . 28.9 m-85 -94.31 39.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.61 171.45 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 74.21 111.115 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 58' ' ' VAL . 3.3 ttpt -153.88 113.15 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.881 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 90.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.883 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 10' ' ' LEU . 15.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 74.04 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.856 0.36 . . . . 73.1 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.8 m -146.02 166.89 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.124 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.6 mm? -115.87 143.87 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -70.21 107.27 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 41.43 111.1 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.53 -26.02 45.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.923 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -142.53 132.67 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 103.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.853 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.11 126.46 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.914 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.2 mp0 -96.72 20.67 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.42 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 44.21 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -177.89 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 163.03 22.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.691 0.757 . . . . 55.42 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -26.12 27.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 62.03 112.356 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 21.57 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.856 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -112.16 163.8 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.951 HG13 HG21 ' A' ' 46' ' ' VAL . 9.0 t -121.66 129.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.118 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 16' ' ' GLN . 5.1 m -85.05 125.16 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.112 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.409 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.35 151.23 51.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mttm -117.7 129.87 55.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -43.33 103.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.9 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.59 28.36 5.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 63.33 112.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.696 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -121.46 170.39 9.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.78 0.324 . . . . 72.31 110.904 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -120.15 142.34 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.15 111.156 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.17 160.74 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.895 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m -99.25 107.75 20.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 64.4 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.746 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.9 mm? -60.19 148.0 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.891 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -122.36 -60.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 53.32 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.5 -70.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 52.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.581 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.98 17.79 9.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.859 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -99.18 -33.65 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 71.31 111.148 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -96.86 99.54 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.855 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -47.08 -50.87 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -48.82 -48.03 41.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 34.44 110.866 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -138.7 116.99 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.1 m0 -98.56 105.46 17.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.912 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.83 134.04 56.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 71.33 110.901 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.6 m -142.31 179.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.51 111.129 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.5 121.36 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.951 HG21 HG13 ' A' ' 23' ' ' VAL . 2.7 m -139.8 131.24 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 75.23 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.68 66.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.886 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.02 37.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.851 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.22 86.01 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.856 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.62 141.44 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.28 -114.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 31.25 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 29.8 m-85 -143.24 125.13 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 60.41 110.883 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.05 139.75 21.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 65.5 111.122 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.4 Cg_endo -69.78 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.655 2.236 . . . . 74.41 112.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.74 -54.74 38.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.1 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.11 -34.49 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.54 111.093 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -95.51 40.14 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.936 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.86 170.0 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.1 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.581 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -156.55 114.94 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.02 110.929 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 10' ' ' LEU . 13.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.939 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 61.24 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.602 ' O ' HD13 ' A' ' 30' ' ' ILE . 25.8 m -148.15 168.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.146 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.16 143.46 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 55.14 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -69.35 107.82 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.099 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.92 -27.5 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -139.68 133.79 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 95.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.43 110.884 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.32 128.94 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.896 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 24' ' ' THR . 2.0 mp0 -96.79 -22.05 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.3 mm-40 64.21 -163.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.928 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 62.23 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 159.1 44.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 73.01 110.799 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -23.13 30.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 75.54 112.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 17.1 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.43 110.832 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -112.33 161.73 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 60.33 110.934 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.857 HG13 HG21 ' A' ' 46' ' ' VAL . 13.2 t -123.27 111.85 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.468 HG23 ' HA ' ' A' ' 16' ' ' GLN . 82.0 m -72.91 124.73 26.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.133 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.97 151.6 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.2 mttt -112.39 128.7 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -42.74 104.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.923 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.55 4.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -125.97 162.42 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 72.45 110.824 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -110.33 142.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 62.44 111.139 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.01 160.51 34.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 50.32 110.898 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -99.14 110.73 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.45 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.763 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -62.82 146.29 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.944 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 45' ' ' GLU . 42.5 mt -120.54 -59.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.92 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.662 HD22 ' HB ' ' A' ' 37' ' ' THR . 39.7 t30 -90.88 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.871 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.579 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.93 17.94 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.84 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.662 ' HB ' HD22 ' A' ' 35' ' ' ASN . 75.7 m -99.58 -33.31 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 62.32 111.111 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -96.81 99.47 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.54 -50.8 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 51.21 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.71 -45.99 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -142.08 117.61 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.8 m0 -98.67 106.38 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.886 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.46 132.86 54.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.921 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.8 m -143.85 172.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.11 111.133 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' A' ' 34' ' ' LEU . 54.8 tt0 -124.65 124.41 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.857 HG21 HG13 ' A' ' 23' ' ' VAL . 3.9 m -140.85 130.85 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 61.43 111.096 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.63 67.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 60.04 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 41.54 35.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 53.11 110.837 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 84.19 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.874 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.25 146.41 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 55.24 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.24 -112.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 65.22 112.505 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 31.3 m-85 -141.46 126.27 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 73.2 110.869 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.21 137.42 20.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 75.34 111.111 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.74 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.4 112.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.08 -57.06 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.32 111.067 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.08 -33.98 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 52.15 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -95.32 40.27 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 62.32 110.94 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.79 170.21 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.088 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -156.11 114.83 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.876 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 91.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.922 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 63.04 110.9 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.581 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.1 m -145.45 168.47 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.138 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.56 143.94 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -69.79 107.85 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.24 111.083 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 59' ' ' LYS . 18.1 tp -78.76 -27.73 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.914 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -139.37 133.47 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.934 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 96.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 52.5 110.88 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.35 128.95 45.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.926 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -98.25 -21.09 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.942 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.0 mm-40 64.43 170.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 70.4 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -153.55 23.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 157.85 34.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.685 0.755 . . . . 51.4 110.848 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -25.21 29.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.275 . . . . 72.52 112.364 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.22 13.43 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.867 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.33 163.81 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.945 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.749 HG13 HG21 ' A' ' 46' ' ' VAL . 7.8 t -123.33 111.37 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.139 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.1 m -73.06 121.96 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.45 111.113 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.38 152.98 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.906 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -113.79 128.28 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 54.05 110.89 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -41.91 104.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.925 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.79 32.22 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 31.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.568 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -127.49 158.49 37.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 75.53 110.869 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.598 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -106.49 142.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.43 111.132 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.54 159.75 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.898 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -99.0 112.95 24.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 73.52 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.765 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.6 mm? -65.73 143.57 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -117.94 -60.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.899 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.629 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.0 t30 -87.77 -69.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.893 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.17 17.44 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.864 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.629 ' HB ' HD22 ' A' ' 35' ' ' ASN . 65.5 m -99.45 -33.13 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 45.21 111.097 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.22 98.97 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.34 110.925 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -47.87 -50.16 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.873 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -49.01 -47.6 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -139.73 117.35 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.9 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.4 m0 -98.03 108.04 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 75.32 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.79 128.28 36.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.01 110.907 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.765 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -143.74 167.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 71.5 111.163 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 34' ' ' LEU . 36.4 tt0 -119.75 130.37 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 44.33 110.906 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.749 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -144.34 129.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 63.04 111.152 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.39 71.35 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.868 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.36 36.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 87.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.887 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.62 155.27 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 51.21 112.543 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 28.6 m-85 -142.38 124.78 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 74.2 110.892 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.615 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.75 138.09 20.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 74.2 111.117 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.3 Cg_endo -69.72 117.84 5.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.03 112.357 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.16 -56.22 23.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.121 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -95.34 40.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.97 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -146.54 170.54 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.153 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG3' HD13 ' A' ' 12' ' ' LEU . 8.0 mmtp -155.14 114.28 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.855 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 91.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 62.12 110.902 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 10' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.644 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.815 0.34 . . . . 75.15 110.975 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.609 ' O ' HD13 ' A' ' 30' ' ' ILE . 30.2 m -148.93 167.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.177 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 29' ' ' ASP . 2.8 mm? -114.58 141.12 48.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 107.44 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.106 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.14 -27.97 48.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -139.07 133.85 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.61 94.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.871 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -97.03 130.25 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.916 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -98.97 -20.59 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.927 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.7 mm-40 63.95 171.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.92 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.16 24.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.841 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.34 157.8 34.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 73.02 110.827 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -24.84 29.37 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 74.52 112.346 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.73 15.11 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -113.38 162.97 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.922 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.815 HG13 HG21 ' A' ' 46' ' ' VAL . 23.8 t -123.73 112.05 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.45 111.103 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.2 m -72.97 126.21 29.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 54.03 111.131 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.6 151.55 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.88 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 126.11 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -40.52 106.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 24.21 7.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.473 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HD13 ' A' ' 10' ' ' LEU . 4.7 m-20 -114.06 -179.11 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 71.35 110.841 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -130.91 139.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 63.45 111.14 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.75 160.07 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.964 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -98.8 110.72 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.741 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -62.2 144.56 55.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.932 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 45' ' ' GLU . 2.9 mt -119.74 -60.62 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.902 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.8 -70.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 64.03 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.614 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.31 17.63 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.848 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -99.31 -33.28 10.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 73.03 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -96.91 99.89 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 45.33 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -48.66 -50.2 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.01 -45.81 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.877 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -141.86 117.62 10.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.0 m0 -97.61 107.42 19.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.93 130.59 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.943 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -142.59 171.37 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.154 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.8 126.62 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 55.31 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.815 HG21 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.29 126.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.119 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.87 70.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 41.49 35.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.22 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.19 83.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.441 ' OE1' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -93.8 148.85 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.888 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.96 -111.81 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 71.52 112.521 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 33.5 m-85 -143.47 126.38 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 74.31 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.652 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -110.82 139.99 22.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 44.54 111.138 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.4 Cg_endo -69.81 119.27 6.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 61.01 112.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.38 -56.46 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.085 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.13 -33.83 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.091 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -95.22 40.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.95 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.29 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 63.24 111.147 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.93 114.21 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.907 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 90.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.933 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.629 HD12 ' HG ' ' A' ' 10' ' ' LEU . 19.8 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.931 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 72.52 110.906 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 58' ' ' VAL . 17.9 m -145.54 166.28 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 73.21 111.137 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.1 mm? -117.27 141.96 47.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -67.94 109.99 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.079 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.718 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.2 tm? -80.26 -29.3 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.9 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -140.48 135.78 32.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.73 104.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 121.79 45.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.954 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.5 mp0 -95.26 13.86 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 62.52 110.929 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.77 -161.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.9 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.44 163.06 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 64.23 110.81 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.29 29.96 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.258 . . . . 62.43 112.341 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -92.2 16.54 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.41 110.877 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -111.13 163.87 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.859 HG13 HG21 ' A' ' 46' ' ' VAL . 3.2 t -120.27 131.83 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.11 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 16' ' ' GLN . 4.4 m -88.48 121.14 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.03 111.113 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.82 153.94 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.55 110.85 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.6 mtpt -119.3 128.31 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 65.45 110.868 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -40.81 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 74.01 110.876 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.78 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 70.31 112.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -131.38 154.02 49.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 73.24 110.862 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.568 HD12 HD22 ' A' ' 10' ' ' LEU . 5.6 tp -97.31 143.06 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 65.2 111.131 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 46' ' ' VAL . 2.1 mt -131.67 155.55 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 m -97.49 108.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.12 146.37 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.923 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -121.5 -61.6 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.908 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.635 HD22 ' HB ' ' A' ' 37' ' ' THR . 39.6 t30 -86.86 -69.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.891 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.35 18.04 10.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 53.32 110.88 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' HD22 ' A' ' 35' ' ' ASN . 72.4 m -99.93 -33.53 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 54.55 111.132 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -96.96 99.3 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -47.94 -50.51 26.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.92 -46.14 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.54 110.826 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -141.45 116.99 10.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 73.35 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.508 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.7 m0 -98.09 107.64 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.75 128.56 37.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.904 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -142.57 165.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 63.22 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -116.93 128.72 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 60.1 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 HG13 ' A' ' 23' ' ' VAL . 3.1 m -146.22 134.23 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 54.31 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.56 66.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 44.11 110.871 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.5 37.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.9 89.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.88 149.79 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.935 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.98 -110.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 72.41 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 23.9 m-85 -142.7 123.73 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 71.43 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.655 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.68 139.77 21.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.667 0.746 . . . . 70.35 111.145 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.75 119.3 6.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.264 . . . . 51.23 112.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.46 -56.14 20.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.33 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.24 111.08 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.95 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.958 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.02 170.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.41 111.132 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.18 115.55 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.882 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 91.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.92 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.3 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 32.14 110.916 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.799 0.333 . . . . 51.13 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.7 m-20 71.52 -68.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 64.15 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 65.35 76.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t 38.41 42.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 53.12 111.111 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.35 63.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 64.21 112.468 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.44 133.4 35.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 71.52 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.07 166.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.873 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -133.62 151.37 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.41 110.923 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HD13 ' A' ' 30' ' ' ILE . 20.8 m -146.89 168.12 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 62.15 111.142 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.576 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.03 142.99 46.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.913 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.95 109.41 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.113 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.9 tt -80.47 -27.74 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.928 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -139.97 135.24 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.837 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.42 126.92 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.964 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.26 -21.79 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 61.34 110.869 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.5 mm-40 64.35 -162.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.865 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.72 159.11 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 73.31 110.882 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.11 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 61.13 112.356 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 17.44 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.68 161.93 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.826 HG13 HG21 ' A' ' 46' ' ' VAL . 8.2 t -122.96 111.93 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.102 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.57 122.58 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.193 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.587 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -129.66 152.49 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.913 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -113.73 127.11 55.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -41.14 104.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.17 30.6 3.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 64.53 112.512 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.93 160.05 32.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.14 110.858 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -107.61 142.78 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 62.24 111.114 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.06 160.4 36.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.897 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -99.62 112.58 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.776 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.58 144.63 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -118.82 -60.65 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.925 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.35 -69.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.26 18.21 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.873 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.5 m -99.73 -33.02 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 61.25 111.171 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -97.53 99.92 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -48.34 -50.35 30.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.906 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -49.12 -45.72 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -141.72 117.36 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.9 m0 -98.36 106.97 19.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 74.31 110.938 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.78 128.86 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.917 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 33' ' ' LEU . 14.6 m -141.84 170.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.2 tt0 -122.2 126.96 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.54 131.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 63.13 111.152 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.47 67.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 53.24 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.42 36.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 70.22 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 84.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.899 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.421 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -92.89 149.1 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.9 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.9 -110.8 0.23 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 50.03 112.498 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.0 m-85 -140.81 126.14 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 75.4 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.601 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.32 136.98 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 73.34 111.156 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.1 Cg_endo -69.74 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.23 . . . . 75.21 112.379 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.12 -56.74 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.43 111.058 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.98 -34.08 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.117 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.49 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.959 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.87 170.67 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 63.23 111.11 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.1 mttt -155.71 114.3 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 62.12 110.899 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.906 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.8 mt -121.12 57.18 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.885 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' CG ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.863 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.744 0.307 . . . . 63.22 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' OD2' HD23 ' A' ' 34' ' ' LEU . 1.2 m-20 72.0 -69.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 65.31 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.93 35.59 25.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.878 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.2 m -156.75 -76.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 54.21 111.139 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.81 -85.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.754 . . . . 51.35 112.509 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 156.44 30.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 65.3 110.947 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.53 152.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.877 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -136.81 149.59 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.4 m -147.67 168.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.42 111.111 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.568 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.04 142.52 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.04 110.923 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.75 109.4 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 70.1 111.142 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -80.62 -27.69 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.4 110.844 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -139.97 135.36 32.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.86 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.51 127.18 50.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.929 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -96.51 -21.65 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.933 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.4 mm-40 64.15 -162.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.57 159.13 44.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.658 0.742 . . . . 55.13 110.855 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.04 31.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 55.23 112.406 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.42 17.68 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.871 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.02 161.7 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.3 t -122.87 111.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.31 111.128 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.64 123.0 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.159 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.576 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.12 152.5 49.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.884 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -113.57 127.07 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -41.05 104.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.893 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.2 30.06 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 40.13 112.469 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.39 160.91 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 75.42 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -108.28 142.73 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 70.54 111.115 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.52 160.8 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.934 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -99.7 111.35 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 73.13 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.88 145.65 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.13 -60.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 60.13 110.892 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.638 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.2 t30 -88.38 -70.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.11 110.913 179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.29 17.9 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.83 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.638 ' HB ' HD22 ' A' ' 35' ' ' ASN . 79.0 m -99.25 -33.02 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.106 -179.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -97.53 99.4 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.48 -50.57 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 65.01 110.92 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -48.97 -47.71 43.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.857 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -139.38 117.16 11.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.957 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.3 m0 -98.44 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.58 129.48 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 64.54 110.891 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.4 m -141.59 170.86 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 44.43 111.138 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 34' ' ' LEU . 44.1 tt0 -122.14 125.76 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 65.11 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.32 132.44 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.03 111.14 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.75 66.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.876 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t0 41.59 36.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.829 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 85.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -91.88 147.93 22.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.94 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.49 -111.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.504 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.9 m-85 -141.25 125.91 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 75.42 110.906 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.19 137.06 20.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 75.13 111.128 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.74 118.21 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 73.42 112.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.98 -56.48 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.131 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.95 -34.23 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -95.66 40.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.28 170.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 65.42 111.107 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -155.75 114.73 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.13 110.92 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 91.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 63.54 110.85 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' LEU . 8.0 mt -120.71 56.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 61.43 110.912 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' CG ' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.828 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.729 0.3 . . . . 53.45 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' OD1' HD23 ' A' ' 34' ' ' LEU . 1.2 m-20 71.87 -69.11 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 71.15 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.2 35.53 25.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 72.13 110.865 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -157.12 -76.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 52.03 111.162 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.5 0.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 65.13 112.524 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.37 156.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.708 0.289 . . . . 61.32 110.934 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.45 153.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 70.25 110.907 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.65 149.8 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.15 110.899 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.5 m -147.83 168.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.165 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.12 142.8 47.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.95 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.92 109.3 3.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.094 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.7 tt -80.5 -27.48 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.955 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -140.22 135.35 32.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.79 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.868 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.44 127.05 50.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.907 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.32 -21.78 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 73.41 110.932 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.3 mm-40 64.34 -162.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -174.92 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 52.11 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.64 159.14 44.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.708 0.766 . . . . 52.45 110.856 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.95 31.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.715 2.277 . . . . 52.45 112.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.46 17.51 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 74.5 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.81 161.66 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.2 t -122.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 53.23 111.143 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.7 m -73.53 122.93 22.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.158 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.575 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.04 152.49 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.888 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -113.53 127.0 55.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.873 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.05 104.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.44 110.907 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.18 30.02 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 63.43 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.46 160.58 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 64.43 110.869 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -107.95 142.72 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.45 111.143 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.38 160.8 34.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 m -99.48 111.25 23.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.82 145.71 55.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.935 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.52 -60.97 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 55.33 110.891 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.635 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.1 t30 -88.29 -70.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 61.4 110.931 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.606 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.18 18.35 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 62.03 110.87 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' HD22 ' A' ' 35' ' ' ASN . 83.6 m -99.64 -33.14 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 73.14 111.168 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -97.05 99.47 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -47.79 -50.48 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.54 110.933 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -48.93 -45.78 42.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 72.13 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -142.28 117.55 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.9 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.9 m0 -98.47 107.06 19.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.939 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 10.3 ttmt -58.69 129.75 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 71.23 110.899 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.7 m -141.71 170.81 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.096 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.02 125.83 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.888 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -142.34 132.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.126 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.71 66.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.881 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 41.56 36.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.02 110.832 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 85.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.41 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.7 OUTLIER -91.74 147.68 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.918 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.18 -111.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 27.5 m-85 -141.37 126.22 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 73.3 110.891 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.28 137.06 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 53.41 111.114 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.76 118.9 5.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.11 112.4 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.43 -56.76 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 61.22 111.082 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.85 -34.27 8.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.11 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -95.66 40.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.895 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.34 170.67 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 64.31 111.164 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 8.1 mttt -155.97 114.58 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 52.12 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.878 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.7 mt -121.2 57.13 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' CG ' HD23 ' A' ' 8' ' ' LEU . 1.8 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.885 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 75.52 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.729 ' N ' HD23 ' A' ' 34' ' ' LEU . 19.8 t0 63.71 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.873 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.97 55.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.909 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.714 HG21 ' OG1' ' A' ' 37' ' ' THR . 3.5 m -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 73.35 111.136 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.75 90.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.462 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 116.44 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 74.53 110.921 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -146.83 -173.21 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.88 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 pp -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.915 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 30' ' ' ILE . 31.9 m -150.32 163.7 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ASP . 1.6 mm? -115.76 140.35 49.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 64.12 110.956 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -66.32 109.75 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 43.32 111.132 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 -25.37 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.913 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -142.11 134.3 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.912 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.9 101.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 61.32 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 128.11 53.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.909 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HA ' HG23 ' A' ' 24' ' ' THR . 16.0 mp0 -97.2 -21.78 17.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.6 mm-40 64.43 -163.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 51.21 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.95 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 72.52 110.905 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 159.07 45.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 63.13 110.844 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.07 31.31 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.685 2.257 . . . . 73.41 112.401 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 18.13 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.25 161.64 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 52.4 110.919 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.843 HG13 HG21 ' A' ' 46' ' ' VAL . 10.6 t -123.09 112.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.159 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.4 m -73.46 124.03 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 53.34 111.132 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.542 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.79 152.53 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.841 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.22 126.32 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -41.41 104.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.876 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.08 28.05 4.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 65.44 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.778 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -119.57 179.09 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 64.14 110.856 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -126.21 141.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.54 111.137 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -134.54 159.42 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.41 110.91 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -100.38 113.64 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.202 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.05 145.16 56.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.894 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -119.77 -60.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.924 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.631 HD22 ' HB ' ' A' ' 37' ' ' THR . 40.1 t30 -87.43 -70.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.909 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.577 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.22 18.15 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.857 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.714 ' OG1' HG21 ' A' ' 4' ' ' THR . 82.1 m -99.47 -33.24 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.149 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -97.46 99.36 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -48.01 -49.58 30.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -49.71 -45.87 49.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 51.12 110.825 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -141.68 117.46 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.7 m0 -98.48 107.72 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.26 129.46 42.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.92 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -143.13 167.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 55.34 111.158 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HB2' HD11 ' A' ' 34' ' ' LEU . 16.7 tt0 -118.79 127.82 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.877 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.843 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 m -143.08 132.04 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.162 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 40.21 67.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.06 37.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 62.1 110.804 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 86.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.829 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -93.9 150.79 20.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.52 110.895 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 -110.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 30.44 112.458 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.5 m-85 -141.23 126.07 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 62.5 110.912 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.87 138.05 21.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 74.3 111.142 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.73 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 61.51 112.354 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.71 -56.72 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.11 111.138 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.34 -33.57 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 44.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -94.93 39.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.968 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -147.35 168.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 75.43 111.153 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -153.74 112.41 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.869 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 90.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.902 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HG ' ' A' ' 10' ' ' LEU . 30.4 mt -108.81 -75.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.909 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' HD22 ' A' ' 8' ' ' LEU . 20.2 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mtp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 61.11 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' CG ' HD23 ' A' ' 34' ' ' LEU . 3.8 t0 66.57 146.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.04 110.876 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 -64.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 75.15 110.892 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.0 t -132.29 37.78 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 62.53 111.137 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.22 -96.63 1.06 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 72.04 112.525 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 50.86 57.21 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 72.22 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.04 172.01 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.868 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -129.4 154.22 47.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 64.41 110.938 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HD13 ' A' ' 30' ' ' ILE . 24.1 m -146.5 166.43 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.123 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.1 mm? -114.2 142.32 46.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.91 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -68.78 111.87 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 43.12 111.073 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 12' ' ' LEU . 2.2 tm? -84.66 -29.65 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -136.88 137.98 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.54 98.78 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.02 131.82 48.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.939 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -97.26 18.11 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 55.43 110.916 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 43.19 -161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 53.24 110.917 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.73 162.3 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 65.13 110.854 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -24.46 29.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 75.31 112.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.24 19.81 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.14 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -112.59 162.68 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.907 HG13 HG21 ' A' ' 46' ' ' VAL . 5.8 t -119.68 132.85 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.11 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -68.26 117.28 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.153 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.575 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 16.3 tpp -101.12 129.53 47.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 64.44 110.892 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mmtm -121.54 98.73 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.88 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' LYS . 24.2 tttt -36.38 108.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 70.33 110.95 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.26 32.01 5.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.53 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.767 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -131.37 -177.42 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 75.12 110.88 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.612 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -130.33 141.01 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.121 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.85 157.19 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 60.35 110.951 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -97.17 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.121 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.7 mm? -62.25 144.78 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.504 HD11 ' HB2' ' A' ' 45' ' ' GLU . 6.5 mt -119.7 -59.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 65.21 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.13 -70.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.3 17.88 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.848 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.3 m -99.11 -32.6 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.24 111.143 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.4 100.13 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.872 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -48.23 -50.07 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.879 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -49.42 -47.84 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 70.41 110.879 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -138.05 117.09 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' O ' HG13 ' A' ' 44' ' ' VAL . 21.6 m0 -98.14 105.86 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.938 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.43 130.8 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.45 110.91 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.9 m -142.46 171.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.162 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HB2' HD11 ' A' ' 34' ' ' LEU . 15.5 tt0 -121.09 123.67 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 110.874 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.907 HG21 HG13 ' A' ' 23' ' ' VAL . 3.4 m -140.52 132.15 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.154 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.53 67.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.02 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 40.94 37.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 85.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.906 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.18 144.74 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 73.01 110.909 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.61 -112.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.476 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 32.1 m-85 -143.27 125.26 15.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 72.01 110.892 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.607 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -111.88 141.7 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 73.03 111.1 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.3 Cg_endo -69.82 119.68 6.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 71.51 112.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -63.2 -56.14 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 44.24 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -32.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 70.11 111.065 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' O ' ' HE3' ' A' ' 25' ' ' MET . 28.9 m-85 -94.31 39.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.61 171.45 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 74.21 111.115 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 58' ' ' VAL . 3.3 ttpt -153.88 113.15 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.881 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 90.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.883 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 10' ' ' LEU . 15.4 mt -117.04 52.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 74.04 110.912 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.872 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.798 0.332 . . . . 74.43 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.759 ' OD2' HD22 ' A' ' 34' ' ' LEU . 0.7 OUTLIER 71.25 -70.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.873 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 77.26 -49.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 62.2 110.899 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -162.79 70.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.13 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.81 -101.89 1.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 41.12 112.495 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.7 68.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 55.21 110.899 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.82 163.44 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.887 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -133.56 153.08 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.926 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.8 m -146.02 166.89 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.124 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.6 mm? -115.87 143.87 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -70.21 107.27 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 41.43 111.1 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.53 -26.02 45.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.923 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -142.53 132.67 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 103.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.853 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.11 126.46 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.914 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.2 mp0 -96.72 20.67 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.42 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 44.21 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -177.89 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 163.03 22.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.691 0.757 . . . . 55.42 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -26.12 27.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 62.03 112.356 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 21.57 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.856 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -112.16 163.8 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.951 HG13 HG21 ' A' ' 46' ' ' VAL . 9.0 t -121.66 129.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.118 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 16' ' ' GLN . 5.1 m -85.05 125.16 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.112 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.409 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.35 151.23 51.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mttm -117.7 129.87 55.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -43.33 103.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.9 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.59 28.36 5.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 63.33 112.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.696 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -121.46 170.39 9.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.78 0.324 . . . . 72.31 110.904 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -120.15 142.34 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.15 111.156 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.17 160.74 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.895 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m -99.25 107.75 20.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 64.4 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.746 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.9 mm? -60.19 148.0 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.891 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.759 HD22 ' OD2' ' A' ' 2' ' ' ASP . 30.1 mt -122.36 -60.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 53.32 110.932 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.5 -70.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 52.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.581 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.98 17.79 9.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.859 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -99.18 -33.65 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 71.31 111.148 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -96.86 99.54 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.855 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -47.08 -50.87 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -48.82 -48.03 41.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 34.44 110.866 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -138.7 116.99 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.1 m0 -98.56 105.46 17.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.912 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.83 134.04 56.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 71.33 110.901 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.6 m -142.31 179.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.51 111.129 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.5 121.36 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.951 HG21 HG13 ' A' ' 23' ' ' VAL . 2.7 m -139.8 131.24 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 75.23 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.68 66.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.886 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.02 37.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.851 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.22 86.01 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.856 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.62 141.44 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.28 -114.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 31.25 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 29.8 m-85 -143.24 125.13 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 60.41 110.883 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.05 139.75 21.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 65.5 111.122 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.4 Cg_endo -69.78 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.655 2.236 . . . . 74.41 112.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.74 -54.74 38.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.1 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.11 -34.49 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.54 111.093 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -95.51 40.14 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.936 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.86 170.0 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.1 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.581 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -156.55 114.94 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.02 110.929 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 10' ' ' LEU . 13.6 mt -118.14 53.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.939 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.888 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.814 0.34 . . . . 70.1 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -78.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 46.06 35.96 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.4 m -107.23 -76.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.23 111.138 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -90.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 71.13 112.474 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 150.28 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 71.04 110.887 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.58 144.6 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.866 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -135.66 151.31 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 61.24 110.952 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.602 ' O ' HD13 ' A' ' 30' ' ' ILE . 25.8 m -148.15 168.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.146 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.16 143.46 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 55.14 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -69.35 107.82 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.099 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.92 -27.5 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -139.68 133.79 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 95.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.43 110.884 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.32 128.94 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.896 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 24' ' ' THR . 2.0 mp0 -96.79 -22.05 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.3 mm-40 64.21 -163.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.928 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 62.23 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 159.1 44.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 73.01 110.799 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -23.13 30.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 75.54 112.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 17.1 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.43 110.832 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -112.33 161.73 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 60.33 110.934 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.857 HG13 HG21 ' A' ' 46' ' ' VAL . 13.2 t -123.27 111.85 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.468 HG23 ' HA ' ' A' ' 16' ' ' GLN . 82.0 m -72.91 124.73 26.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.133 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.97 151.6 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.2 mttt -112.39 128.7 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -42.74 104.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.923 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.55 4.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -125.97 162.42 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 72.45 110.824 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -110.33 142.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 62.44 111.139 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.01 160.51 34.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 50.32 110.898 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -99.14 110.73 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.45 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.763 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -62.82 146.29 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.944 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 45' ' ' GLU . 42.5 mt -120.54 -59.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.92 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.662 HD22 ' HB ' ' A' ' 37' ' ' THR . 39.7 t30 -90.88 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.871 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.579 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.93 17.94 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.84 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.662 ' HB ' HD22 ' A' ' 35' ' ' ASN . 75.7 m -99.58 -33.31 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 62.32 111.111 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -96.81 99.47 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.54 -50.8 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 51.21 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.71 -45.99 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -142.08 117.61 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.8 m0 -98.67 106.38 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.886 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.46 132.86 54.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.921 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.8 m -143.85 172.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.11 111.133 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' A' ' 34' ' ' LEU . 54.8 tt0 -124.65 124.41 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.857 HG21 HG13 ' A' ' 23' ' ' VAL . 3.9 m -140.85 130.85 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 61.43 111.096 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.63 67.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 60.04 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 41.54 35.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 53.11 110.837 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 84.19 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.874 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -91.25 146.41 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 55.24 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.24 -112.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 65.22 112.505 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 31.3 m-85 -141.46 126.27 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 73.2 110.869 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.21 137.42 20.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 75.34 111.111 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.74 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.4 112.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.08 -57.06 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.32 111.067 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.08 -33.98 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 52.15 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -95.32 40.27 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 62.32 110.94 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.79 170.21 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.088 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -156.11 114.83 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.876 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 91.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.922 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.9 mt -120.9 56.2 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.927 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.863 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HB2' HD21 ' A' ' 34' ' ' LEU . 29.7 mtm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.795 0.331 . . . . 64.54 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.62 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.0 110.847 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 50.71 28.57 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.901 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -162.7 32.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 62.12 111.156 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.73 99.13 0.99 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 74.51 112.478 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 115.77 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.69 0.281 . . . . 65.45 110.925 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.39 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.87 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -130.48 149.01 52.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 63.04 110.9 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.581 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.1 m -145.45 168.47 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.138 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.56 143.94 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -69.79 107.85 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.24 111.083 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 59' ' ' LYS . 18.1 tp -78.76 -27.73 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.914 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -139.37 133.47 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.934 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 96.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 52.5 110.88 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.35 128.95 45.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.926 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -98.25 -21.09 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.942 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.0 mm-40 64.43 170.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 70.4 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -153.55 23.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 157.85 34.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.685 0.755 . . . . 51.4 110.848 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -25.21 29.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.275 . . . . 72.52 112.364 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.22 13.43 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.867 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.33 163.81 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.945 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.749 HG13 HG21 ' A' ' 46' ' ' VAL . 7.8 t -123.33 111.37 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.139 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.1 m -73.06 121.96 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.45 111.113 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.38 152.98 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.906 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -113.79 128.28 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 54.05 110.89 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -41.91 104.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.925 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.79 32.22 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 31.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.568 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -127.49 158.49 37.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 75.53 110.869 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.598 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -106.49 142.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.43 111.132 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.54 159.75 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.898 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -99.0 112.95 24.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 73.52 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.765 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.6 mm? -65.73 143.57 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -117.94 -60.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.899 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.77 -69.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.893 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.17 17.44 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.864 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.5 m -99.45 -33.13 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 45.21 111.097 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.22 98.97 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.34 110.925 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -47.87 -50.16 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.873 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -49.01 -47.6 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -139.73 117.35 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.9 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.4 m0 -98.03 108.04 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 75.32 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.79 128.28 36.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.01 110.907 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.765 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -143.74 167.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 71.5 111.163 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 34' ' ' LEU . 36.4 tt0 -119.75 130.37 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 44.33 110.906 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.749 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -144.34 129.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 63.04 111.152 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 39.39 71.35 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.868 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.36 36.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 87.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.887 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -98.62 155.27 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.911 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 51.21 112.543 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 28.6 m-85 -142.38 124.78 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 74.2 110.892 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.615 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.75 138.09 20.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 74.2 111.117 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.3 Cg_endo -69.72 117.84 5.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.03 112.357 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.16 -56.22 23.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.121 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -95.34 40.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.97 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -146.54 170.54 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.153 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG3' HD13 ' A' ' 12' ' ' LEU . 8.0 mmtp -155.14 114.28 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.855 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 91.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 62.12 110.902 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 10' ' ' LEU . 6.9 mt -122.86 57.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.899 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.857 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 54.42 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' CA ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 76.07 -43.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.897 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 50.92 63.26 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.885 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 t 37.98 42.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.68 70.3 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 54.21 112.464 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.39 116.66 32.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 74.15 110.908 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.73 -177.99 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.644 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -134.99 147.33 49.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 75.15 110.975 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.609 ' O ' HD13 ' A' ' 30' ' ' ILE . 30.2 m -148.93 167.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.177 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 29' ' ' ASP . 2.8 mm? -114.58 141.12 48.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 107.44 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.106 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.14 -27.97 48.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -139.07 133.85 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.61 94.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.871 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -97.03 130.25 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.916 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -98.97 -20.59 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.927 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.7 mm-40 63.95 171.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.92 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.16 24.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.841 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.34 157.8 34.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 73.02 110.827 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -24.84 29.37 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 74.52 112.346 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.73 15.11 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -113.38 162.97 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.922 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.815 HG13 HG21 ' A' ' 46' ' ' VAL . 23.8 t -123.73 112.05 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.45 111.103 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.2 m -72.97 126.21 29.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 54.03 111.131 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.6 151.55 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.88 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 126.11 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -40.52 106.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 24.21 7.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.473 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HD13 ' A' ' 10' ' ' LEU . 4.7 m-20 -114.06 -179.11 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 71.35 110.841 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -130.91 139.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 63.45 111.14 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.75 160.07 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.964 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -98.8 110.72 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.741 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -62.2 144.56 55.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.932 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.526 HD11 ' HB2' ' A' ' 45' ' ' GLU . 2.9 mt -119.74 -60.62 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.902 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.8 -70.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 64.03 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.614 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.31 17.63 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.848 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -99.31 -33.28 10.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 73.03 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -96.91 99.89 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 45.33 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -48.66 -50.2 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.01 -45.81 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.877 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -141.86 117.62 10.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.0 m0 -97.61 107.42 19.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.93 130.59 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.943 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -142.59 171.37 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.154 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.8 126.62 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 55.31 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.815 HG21 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.29 126.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.119 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.87 70.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 41.49 35.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.22 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.19 83.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' OE1' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -93.8 148.85 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.888 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.96 -111.81 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 71.52 112.521 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 33.5 m-85 -143.47 126.38 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 74.31 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.652 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -110.82 139.99 22.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 44.54 111.138 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.4 Cg_endo -69.81 119.27 6.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 61.01 112.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.38 -56.46 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.085 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.13 -33.83 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.091 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -95.22 40.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.95 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.29 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 63.24 111.147 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.93 114.21 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.907 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 90.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.933 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.629 HD12 ' HG ' ' A' ' 10' ' ' LEU . 19.8 mt -114.9 51.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.931 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.833 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.762 0.315 . . . . 63.14 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB2' HD23 ' A' ' 34' ' ' LEU . 24.1 t0 -104.05 52.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.875 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.48 37.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.44 110.866 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.475 HG21 ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -143.02 34.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.25 111.116 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.6 98.71 2.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 55.22 112.453 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.01 125.9 35.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.305 . . . . 71.35 110.866 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -146.18 -171.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.905 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -129.04 151.15 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.52 110.906 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 58' ' ' VAL . 17.9 m -145.54 166.28 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 73.21 111.137 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.1 mm? -117.27 141.96 47.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -67.94 109.99 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.079 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.718 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.2 tm? -80.26 -29.3 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.9 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -140.48 135.78 32.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.73 104.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 121.79 45.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.954 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.5 mp0 -95.26 13.86 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 62.52 110.929 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.77 -161.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.9 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.44 163.06 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 64.23 110.81 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.29 29.96 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.258 . . . . 62.43 112.341 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -92.2 16.54 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.41 110.877 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -111.13 163.87 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.859 HG13 HG21 ' A' ' 46' ' ' VAL . 3.2 t -120.27 131.83 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.11 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 16' ' ' GLN . 4.4 m -88.48 121.14 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.03 111.113 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.82 153.94 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.55 110.85 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.6 mtpt -119.3 128.31 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 65.45 110.868 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -40.81 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 74.01 110.876 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.78 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 70.31 112.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -131.38 154.02 49.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 73.24 110.862 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.568 HD12 HD22 ' A' ' 10' ' ' LEU . 5.6 tp -97.31 143.06 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 65.2 111.131 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 46' ' ' VAL . 2.1 mt -131.67 155.55 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 m -97.49 108.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.12 146.37 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.923 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -121.5 -61.6 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.908 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.635 HD22 ' HB ' ' A' ' 37' ' ' THR . 39.6 t30 -86.86 -69.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.891 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.35 18.04 10.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 53.32 110.88 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.635 ' HB ' HD22 ' A' ' 35' ' ' ASN . 72.4 m -99.93 -33.53 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 54.55 111.132 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -96.96 99.3 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -47.94 -50.51 26.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.92 -46.14 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.54 110.826 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -141.45 116.99 10.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 73.35 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.508 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.7 m0 -98.09 107.64 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.75 128.56 37.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.904 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -142.57 165.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 63.22 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -116.93 128.72 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 60.1 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 HG13 ' A' ' 23' ' ' VAL . 3.1 m -146.22 134.23 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 54.31 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.56 66.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 44.11 110.871 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.5 37.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.9 89.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.88 149.79 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.935 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.98 -110.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 72.41 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 23.9 m-85 -142.7 123.73 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 71.43 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.655 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.68 139.77 21.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.667 0.746 . . . . 70.35 111.145 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.75 119.3 6.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.264 . . . . 51.23 112.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.46 -56.14 20.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.33 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.24 111.08 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.95 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.958 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.02 170.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.41 111.132 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.18 115.55 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.882 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 91.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.92 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.3 mt -120.92 57.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 32.14 110.916 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.491 ' CG ' HD23 ' A' ' 8' ' ' LEU . 8.4 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.86 179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 65.41 110.923 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HD13 ' A' ' 30' ' ' ILE . 20.8 m -146.89 168.12 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 62.15 111.142 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.576 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.03 142.99 46.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.913 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.95 109.41 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.113 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.9 tt -80.47 -27.74 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.928 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -139.97 135.24 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.837 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.42 126.92 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.964 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.26 -21.79 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 61.34 110.869 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.5 mm-40 64.35 -162.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.865 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.72 159.11 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 73.31 110.882 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.11 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 61.13 112.356 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 17.44 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.68 161.93 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.826 HG13 HG21 ' A' ' 46' ' ' VAL . 8.2 t -122.96 111.93 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.102 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.57 122.58 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.193 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.587 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -129.66 152.49 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.913 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -113.73 127.11 55.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -41.14 104.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.17 30.6 3.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 64.53 112.512 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.556 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.93 160.05 32.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.14 110.858 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -107.61 142.78 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 62.24 111.114 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.06 160.4 36.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.897 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -99.62 112.58 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.776 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.58 144.63 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -118.82 -60.65 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.925 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.35 -69.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.26 18.21 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.873 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.5 m -99.73 -33.02 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 61.25 111.171 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -97.53 99.92 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -48.34 -50.35 30.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.906 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -49.12 -45.72 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -141.72 117.36 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.9 m0 -98.36 106.97 19.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 74.31 110.938 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.78 128.86 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.917 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 33' ' ' LEU . 14.6 m -141.84 170.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.543 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.2 tt0 -122.2 126.96 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.54 131.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 63.13 111.152 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.47 67.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 53.24 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.42 36.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 70.22 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 84.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.899 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.485 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -92.89 149.1 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.9 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.9 -110.8 0.23 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 50.03 112.498 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.0 m-85 -140.81 126.14 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 75.4 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.601 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.32 136.98 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 73.34 111.156 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.1 Cg_endo -69.74 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.23 . . . . 75.21 112.379 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.12 -56.74 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.43 111.058 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.98 -34.08 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.117 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.49 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.959 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.87 170.67 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 63.23 111.11 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.1 mttt -155.71 114.3 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 62.12 110.899 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.906 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.8 mt . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.885 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.838 0.351 . . . . 74.41 110.922 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.4 m -147.67 168.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.42 111.111 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.568 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.04 142.52 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.04 110.923 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.75 109.4 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 70.1 111.142 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -80.62 -27.69 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.4 110.844 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -139.97 135.36 32.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.86 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.51 127.18 50.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.929 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.489 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -96.51 -21.65 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.933 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.4 mm-40 64.15 -162.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.57 159.13 44.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.658 0.742 . . . . 55.13 110.855 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.04 31.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 55.23 112.406 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.42 17.68 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.871 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.02 161.7 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.3 t -122.87 111.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.31 111.128 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.64 123.0 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.159 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.576 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.12 152.5 49.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.884 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -113.57 127.07 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -41.05 104.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.893 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.2 30.06 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 40.13 112.469 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.39 160.91 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 75.42 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -108.28 142.73 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 70.54 111.115 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.52 160.8 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.934 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -99.7 111.35 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 73.13 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.88 145.65 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.13 -60.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 60.13 110.892 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -88.38 -70.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.11 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.29 17.9 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.83 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 79.0 m -99.25 -33.02 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.106 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -97.53 99.4 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.48 -50.57 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 65.01 110.92 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -48.97 -47.71 43.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.857 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -139.38 117.16 11.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.957 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.3 m0 -98.44 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.58 129.48 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 64.54 110.891 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.4 m -141.59 170.86 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 44.43 111.138 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 34' ' ' LEU . 44.1 tt0 -122.14 125.76 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 65.11 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.32 132.44 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.03 111.14 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.75 66.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.876 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t0 41.59 36.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.829 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 85.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.467 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.88 147.93 22.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.94 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.49 -111.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.504 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.9 m-85 -141.25 125.91 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 75.42 110.906 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.19 137.06 20.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 75.13 111.128 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.74 118.21 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 73.42 112.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.98 -56.48 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.131 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.95 -34.23 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -95.66 40.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.498 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.28 170.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 65.42 111.107 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -155.75 114.73 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.13 110.92 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 91.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 63.54 110.85 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 61.43 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.858 0.361 . . . . 74.15 110.899 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.5 m -147.83 168.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.165 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.12 142.8 47.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.95 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.92 109.3 3.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.094 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.7 tt -80.5 -27.48 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.955 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -140.22 135.35 32.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.79 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.868 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.44 127.05 50.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.907 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.492 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.32 -21.78 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 73.41 110.932 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.3 mm-40 64.34 -162.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -174.92 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 52.11 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.64 159.14 44.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.708 0.766 . . . . 52.45 110.856 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.95 31.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.715 2.277 . . . . 52.45 112.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.46 17.51 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 74.5 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.81 161.66 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.2 t -122.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 53.23 111.143 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.7 m -73.53 122.93 22.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.158 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.575 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.04 152.49 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.888 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -113.53 127.0 55.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.873 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.05 104.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.44 110.907 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.18 30.02 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 63.43 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.46 160.58 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 64.43 110.869 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -107.95 142.72 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.45 111.143 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.38 160.8 34.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 m -99.48 111.25 23.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.82 145.71 55.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.935 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.52 -60.97 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 55.33 110.891 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.29 -70.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 61.4 110.931 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.606 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.18 18.35 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 62.03 110.87 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 83.6 m -99.64 -33.14 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 73.14 111.168 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -97.05 99.47 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -47.79 -50.48 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.54 110.933 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -48.93 -45.78 42.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 72.13 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -142.28 117.55 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.9 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.9 m0 -98.47 107.06 19.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.939 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 10.3 ttmt -58.69 129.75 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 71.23 110.899 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.7 m -141.71 170.81 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.096 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.02 125.83 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.888 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -142.34 132.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.126 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.71 66.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.881 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 41.56 36.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.02 110.832 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 85.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.74 147.68 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.918 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.18 -111.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 27.5 m-85 -141.37 126.22 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 73.3 110.891 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.28 137.06 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 53.41 111.114 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.76 118.9 5.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.11 112.4 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.43 -56.76 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 61.22 111.082 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.85 -34.27 8.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.11 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -95.66 40.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.895 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.499 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.34 170.67 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 64.31 111.164 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 8.1 mttt -155.97 114.58 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 52.12 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.878 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.7 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.936 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 pp . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.884 0.373 . . . . 72.25 110.915 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 30' ' ' ILE . 31.9 m -150.32 163.7 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ASP . 1.6 mm? -115.76 140.35 49.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 64.12 110.956 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -66.32 109.75 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 43.32 111.132 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 -25.37 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.913 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -142.11 134.3 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.912 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.9 101.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 61.32 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 128.11 53.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.909 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HA ' HG23 ' A' ' 24' ' ' THR . 16.0 mp0 -97.2 -21.78 17.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.6 mm-40 64.43 -163.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 51.21 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.95 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 72.52 110.905 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 159.07 45.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 63.13 110.844 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.07 31.31 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.685 2.257 . . . . 73.41 112.401 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 18.13 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.25 161.64 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 52.4 110.919 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.843 HG13 HG21 ' A' ' 46' ' ' VAL . 10.6 t -123.09 112.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.159 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.4 m -73.46 124.03 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 53.34 111.132 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.542 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.79 152.53 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.841 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.22 126.32 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -41.41 104.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.876 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.08 28.05 4.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 65.44 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.778 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -119.57 179.09 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 64.14 110.856 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -126.21 141.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.54 111.137 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.622 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -134.54 159.42 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.41 110.91 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -100.38 113.64 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.202 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.05 145.16 56.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.894 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.635 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -119.77 -60.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.924 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.43 -70.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.909 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.577 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.22 18.15 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.857 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 82.1 m -99.47 -33.24 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.149 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -97.46 99.36 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -48.01 -49.58 30.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -49.71 -45.87 49.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 51.12 110.825 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -141.68 117.46 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.7 m0 -98.48 107.72 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.26 129.46 42.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.92 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -143.13 167.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 55.34 111.158 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HB2' HD11 ' A' ' 34' ' ' LEU . 16.7 tt0 -118.79 127.82 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.877 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.843 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 m -143.08 132.04 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.162 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.21 67.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.06 37.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 62.1 110.804 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 86.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.829 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -93.9 150.79 20.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.52 110.895 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 -110.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 30.44 112.458 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.5 m-85 -141.23 126.07 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 62.5 110.912 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.87 138.05 21.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 74.3 111.142 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.73 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 61.51 112.354 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.71 -56.72 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.11 111.138 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.34 -33.57 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 44.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -94.93 39.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.968 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -147.35 168.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 75.43 111.153 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -153.74 112.41 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.869 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 90.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.902 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HG ' ' A' ' 10' ' ' LEU . 30.4 mt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.909 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.874 0.369 . . . . 64.41 110.938 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HD13 ' A' ' 30' ' ' ILE . 24.1 m -146.5 166.43 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.123 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.1 mm? -114.2 142.32 46.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.91 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -68.78 111.87 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 43.12 111.073 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 12' ' ' LEU . 2.2 tm? -84.66 -29.65 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -136.88 137.98 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.54 98.78 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.02 131.82 48.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.939 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -97.26 18.11 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 55.43 110.916 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 43.19 -161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 53.24 110.917 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.73 162.3 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 65.13 110.854 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -24.46 29.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 75.31 112.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.24 19.81 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.14 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -112.59 162.68 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.907 HG13 HG21 ' A' ' 46' ' ' VAL . 5.8 t -119.68 132.85 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.11 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -68.26 117.28 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.153 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.575 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 16.3 tpp -101.12 129.53 47.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 64.44 110.892 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mmtm -121.54 98.73 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.88 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' LYS . 24.2 tttt -36.38 108.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 70.33 110.95 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.26 32.01 5.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.53 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.767 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -131.37 -177.42 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 75.12 110.88 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.612 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -130.33 141.01 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.121 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.85 157.19 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 60.35 110.951 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -97.17 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.121 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.7 mm? -62.25 144.78 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD13 HE21 ' A' ' 50' ' ' GLN . 6.5 mt -119.7 -59.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 65.21 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.13 -70.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.3 17.88 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.848 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.3 m -99.11 -32.6 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.24 111.143 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.4 100.13 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.872 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -48.23 -50.07 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.879 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -49.42 -47.84 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 70.41 110.879 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -138.05 117.09 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.488 ' O ' HG13 ' A' ' 44' ' ' VAL . 21.6 m0 -98.14 105.86 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.938 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.43 130.8 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.45 110.91 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.9 m -142.46 171.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.162 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HB2' HD11 ' A' ' 34' ' ' LEU . 15.5 tt0 -121.09 123.67 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 110.874 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.907 HG21 HG13 ' A' ' 23' ' ' VAL . 3.4 m -140.52 132.15 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.154 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.53 67.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.02 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 40.94 37.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 85.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.906 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.555 HE21 HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.18 144.74 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 73.01 110.909 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.61 -112.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.476 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 32.1 m-85 -143.27 125.26 15.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 72.01 110.892 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.607 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -111.88 141.7 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 73.03 111.1 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.3 Cg_endo -69.82 119.68 6.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 71.51 112.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -63.2 -56.14 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 44.24 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -32.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 70.11 111.065 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.472 ' O ' ' HE3' ' A' ' 25' ' ' MET . 28.9 m-85 -94.31 39.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.61 171.45 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 74.21 111.115 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 58' ' ' VAL . 3.3 ttpt -153.88 113.15 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.881 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 90.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.883 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 10' ' ' LEU . 15.4 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 74.04 110.912 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.856 0.36 . . . . 73.1 110.926 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.8 m -146.02 166.89 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.124 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.6 mm? -115.87 143.87 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -70.21 107.27 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 41.43 111.1 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.53 -26.02 45.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.923 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -142.53 132.67 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 103.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.853 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.11 126.46 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.914 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.2 mp0 -96.72 20.67 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.42 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 44.21 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -177.89 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 163.03 22.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.691 0.757 . . . . 55.42 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -26.12 27.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 62.03 112.356 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 21.57 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.856 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -112.16 163.8 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.951 HG13 HG21 ' A' ' 46' ' ' VAL . 9.0 t -121.66 129.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.118 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 16' ' ' GLN . 5.1 m -85.05 125.16 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.112 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.409 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.35 151.23 51.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mttm -117.7 129.87 55.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -43.33 103.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.9 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.59 28.36 5.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 63.33 112.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.696 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -121.46 170.39 9.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.78 0.324 . . . . 72.31 110.904 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -120.15 142.34 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.15 111.156 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.17 160.74 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.895 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m -99.25 107.75 20.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 64.4 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.746 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.9 mm? -60.19 148.0 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.891 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 30.1 mt -122.36 -60.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 53.32 110.932 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.5 -70.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 52.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.581 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.98 17.79 9.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.859 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -99.18 -33.65 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 71.31 111.148 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -96.86 99.54 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.855 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -47.08 -50.87 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -48.82 -48.03 41.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 34.44 110.866 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -138.7 116.99 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.1 m0 -98.56 105.46 17.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.912 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.83 134.04 56.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 71.33 110.901 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.6 m -142.31 179.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.51 111.129 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.5 121.36 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.951 HG21 HG13 ' A' ' 23' ' ' VAL . 2.7 m -139.8 131.24 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 75.23 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.68 66.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.886 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.02 37.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.851 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.22 86.01 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.856 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.62 141.44 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.28 -114.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 31.25 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 29.8 m-85 -143.24 125.13 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 60.41 110.883 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.661 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.05 139.75 21.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 65.5 111.122 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.4 Cg_endo -69.78 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.655 2.236 . . . . 74.41 112.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.74 -54.74 38.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.1 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.11 -34.49 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.54 111.093 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -95.51 40.14 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.936 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.86 170.0 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.1 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.581 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -156.55 114.94 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.02 110.929 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 10' ' ' LEU . 13.6 mt . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.939 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.836 0.351 . . . . 61.24 110.952 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.602 ' O ' HD13 ' A' ' 30' ' ' ILE . 25.8 m -148.15 168.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.146 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.16 143.46 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 55.14 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -69.35 107.82 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.099 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.92 -27.5 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -139.68 133.79 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 95.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.43 110.884 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.32 128.94 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.896 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 24' ' ' THR . 2.0 mp0 -96.79 -22.05 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.3 mm-40 64.21 -163.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.928 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 62.23 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 159.1 44.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 73.01 110.799 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -23.13 30.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 75.54 112.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 17.1 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.43 110.832 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -112.33 161.73 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 60.33 110.934 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.857 HG13 HG21 ' A' ' 46' ' ' VAL . 13.2 t -123.27 111.85 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.468 HG23 ' HA ' ' A' ' 16' ' ' GLN . 82.0 m -72.91 124.73 26.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.133 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.97 151.6 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.2 mttt -112.39 128.7 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -42.74 104.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.923 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.55 4.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -125.97 162.42 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 72.45 110.824 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -110.33 142.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 62.44 111.139 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.01 160.51 34.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 50.32 110.898 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -99.14 110.73 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.45 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.763 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -62.82 146.29 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.944 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 45' ' ' GLU . 42.5 mt -120.54 -59.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.92 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.88 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.871 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.579 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.93 17.94 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.84 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.7 m -99.58 -33.31 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 62.32 111.111 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -96.81 99.47 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.54 -50.8 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 51.21 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.71 -45.99 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -142.08 117.61 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.8 m0 -98.67 106.38 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.886 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.46 132.86 54.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.921 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.8 m -143.85 172.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.11 111.133 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' A' ' 34' ' ' LEU . 54.8 tt0 -124.65 124.41 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.857 HG21 HG13 ' A' ' 23' ' ' VAL . 3.9 m -140.85 130.85 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 61.43 111.096 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.63 67.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 60.04 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 41.54 35.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 53.11 110.837 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 84.19 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.874 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.25 146.41 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 55.24 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.24 -112.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 65.22 112.505 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 31.3 m-85 -141.46 126.27 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 73.2 110.869 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.21 137.42 20.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 75.34 111.111 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.74 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.4 112.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.08 -57.06 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.32 111.067 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.08 -33.98 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 52.15 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -95.32 40.27 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 62.32 110.94 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.79 170.21 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.088 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -156.11 114.83 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.876 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 91.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.922 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.9 mt . . . . . 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.927 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.867 0.365 . . . . 63.04 110.9 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.581 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.1 m -145.45 168.47 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.138 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.56 143.94 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -69.79 107.85 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.24 111.083 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 59' ' ' LYS . 18.1 tp -78.76 -27.73 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.914 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -139.37 133.47 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.934 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 96.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 52.5 110.88 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.35 128.95 45.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.926 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -98.25 -21.09 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.942 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.0 mm-40 64.43 170.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 70.4 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -153.55 23.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 157.85 34.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.685 0.755 . . . . 51.4 110.848 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -25.21 29.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.275 . . . . 72.52 112.364 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.22 13.43 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.867 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.33 163.81 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.945 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.749 HG13 HG21 ' A' ' 46' ' ' VAL . 7.8 t -123.33 111.37 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.139 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.1 m -73.06 121.96 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.45 111.113 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.38 152.98 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.906 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -113.79 128.28 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 54.05 110.89 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -41.91 104.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.925 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.79 32.22 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 31.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.568 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -127.49 158.49 37.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 75.53 110.869 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.598 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -106.49 142.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.43 111.132 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.54 159.75 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.898 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -99.0 112.95 24.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 73.52 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.765 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.6 mm? -65.73 143.57 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -117.94 -60.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.899 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.77 -69.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.893 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.17 17.44 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.864 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.5 m -99.45 -33.13 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 45.21 111.097 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.22 98.97 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.34 110.925 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -47.87 -50.16 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.873 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -49.01 -47.6 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -139.73 117.35 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.9 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.4 m0 -98.03 108.04 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 75.32 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.79 128.28 36.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.01 110.907 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.765 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -143.74 167.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 71.5 111.163 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 34' ' ' LEU . 36.4 tt0 -119.75 130.37 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 44.33 110.906 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.749 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -144.34 129.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 63.04 111.152 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.39 71.35 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.868 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.36 36.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 87.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.887 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -98.62 155.27 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.911 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 51.21 112.543 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 28.6 m-85 -142.38 124.78 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 74.2 110.892 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.615 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.75 138.09 20.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 74.2 111.117 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.3 Cg_endo -69.72 117.84 5.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.03 112.357 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.16 -56.22 23.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.121 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -95.34 40.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.97 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -146.54 170.54 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.153 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG3' HD13 ' A' ' 12' ' ' LEU . 8.0 mmtp -155.14 114.28 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.855 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 91.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 62.12 110.902 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 10' ' ' LEU . 6.9 mt . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.899 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.644 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.815 0.34 . . . . 75.15 110.975 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.609 ' O ' HD13 ' A' ' 30' ' ' ILE . 30.2 m -148.93 167.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.177 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 29' ' ' ASP . 2.8 mm? -114.58 141.12 48.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 107.44 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.106 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.14 -27.97 48.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -139.07 133.85 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.61 94.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.871 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -97.03 130.25 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.916 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -98.97 -20.59 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.927 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.7 mm-40 63.95 171.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.92 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.16 24.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.841 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.34 157.8 34.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 73.02 110.827 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -24.84 29.37 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 74.52 112.346 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.73 15.11 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -113.38 162.97 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.922 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.815 HG13 HG21 ' A' ' 46' ' ' VAL . 23.8 t -123.73 112.05 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.45 111.103 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.2 m -72.97 126.21 29.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 54.03 111.131 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.6 151.55 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.88 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 126.11 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -40.52 106.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 24.21 7.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.473 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HD13 ' A' ' 10' ' ' LEU . 4.7 m-20 -114.06 -179.11 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 71.35 110.841 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -130.91 139.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 63.45 111.14 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.75 160.07 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.964 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -98.8 110.72 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.741 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -62.2 144.56 55.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.932 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.592 HD13 ' NE2' ' A' ' 50' ' ' GLN . 2.9 mt -119.74 -60.62 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.902 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.8 -70.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 64.03 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.614 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.31 17.63 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.848 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -99.31 -33.28 10.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 73.03 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -96.91 99.89 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 45.33 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -48.66 -50.2 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.01 -45.81 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.877 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -141.86 117.62 10.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.0 m0 -97.61 107.42 19.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.93 130.59 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.943 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -142.59 171.37 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.154 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.8 126.62 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 55.31 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.815 HG21 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.29 126.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.119 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.87 70.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 41.49 35.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.22 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.19 83.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.592 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -93.8 148.85 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.888 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.96 -111.81 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 71.52 112.521 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 33.5 m-85 -143.47 126.38 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 74.31 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.652 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -110.82 139.99 22.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 44.54 111.138 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.4 Cg_endo -69.81 119.27 6.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 61.01 112.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.38 -56.46 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.085 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.13 -33.83 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.091 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -95.22 40.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.95 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.29 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 63.24 111.147 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.93 114.21 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.907 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 90.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.933 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.629 HD12 ' HG ' ' A' ' 10' ' ' LEU . 19.8 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.931 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.845 0.355 . . . . 72.52 110.906 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 58' ' ' VAL . 17.9 m -145.54 166.28 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 73.21 111.137 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.1 mm? -117.27 141.96 47.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -67.94 109.99 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.079 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.718 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.2 tm? -80.26 -29.3 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.9 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -140.48 135.78 32.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.73 104.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 121.79 45.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.954 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.5 mp0 -95.26 13.86 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 62.52 110.929 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.77 -161.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.9 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.44 163.06 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 64.23 110.81 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.29 29.96 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.258 . . . . 62.43 112.341 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -92.2 16.54 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.41 110.877 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -111.13 163.87 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.859 HG13 HG21 ' A' ' 46' ' ' VAL . 3.2 t -120.27 131.83 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.11 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 16' ' ' GLN . 4.4 m -88.48 121.14 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.03 111.113 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.82 153.94 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.55 110.85 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.6 mtpt -119.3 128.31 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 65.45 110.868 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -40.81 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 74.01 110.876 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.78 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 70.31 112.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -131.38 154.02 49.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 73.24 110.862 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.568 HD12 HD22 ' A' ' 10' ' ' LEU . 5.6 tp -97.31 143.06 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 65.2 111.131 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 46' ' ' VAL . 2.1 mt -131.67 155.55 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 m -97.49 108.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.12 146.37 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.923 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -121.5 -61.6 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.908 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.86 -69.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.35 18.04 10.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 53.32 110.88 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.4 m -99.93 -33.53 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 54.55 111.132 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -96.96 99.3 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -47.94 -50.51 26.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.92 -46.14 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.54 110.826 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -141.45 116.99 10.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 73.35 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.508 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.7 m0 -98.09 107.64 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.75 128.56 37.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.904 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -142.57 165.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 63.22 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -116.93 128.72 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 60.1 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 HG13 ' A' ' 23' ' ' VAL . 3.1 m -146.22 134.23 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 54.31 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.56 66.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 44.11 110.871 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.5 37.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.9 89.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.88 149.79 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.935 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.98 -110.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 72.41 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 23.9 m-85 -142.7 123.73 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 71.43 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.655 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.68 139.77 21.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.667 0.746 . . . . 70.35 111.145 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.75 119.3 6.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.264 . . . . 51.23 112.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.46 -56.14 20.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.33 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.24 111.08 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.95 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.958 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.02 170.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.41 111.132 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.18 115.55 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.882 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 91.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.92 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.3 mt . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 32.14 110.916 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.799 0.333 . . . . 51.13 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.41 ' N ' HD23 ' A' ' 34' ' ' LEU . 1.7 m-20 71.52 -68.88 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.246 -0.434 . . . . 64.15 110.849 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 65.35 76.48 0.33 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 73.53 110.858 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.1 t 38.41 42.46 0.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 53.12 111.111 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -126.35 63.59 0.59 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 64.21 112.468 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.44 133.4 35.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.728 0.299 . . . . 71.52 110.92 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -179.07 166.54 1.57 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.3 110.873 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.576 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -133.62 151.37 51.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 65.41 110.923 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.572 ' O ' HD13 ' A' ' 30' ' ' ILE . 20.8 m -146.89 168.12 5.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 62.15 111.142 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.576 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.03 142.99 46.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 75.45 110.913 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.556 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.95 109.41 3.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 65.31 111.113 179.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.9 tt -80.47 -27.74 37.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 64.11 110.928 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.9 t80 -139.97 135.24 32.54 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 71.43 110.909 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 75.11 110.837 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.42 126.92 50.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 75.25 110.964 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.496 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.26 -21.79 17.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.174 -0.467 . . . . 61.34 110.869 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.427 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.5 mm-40 64.35 -162.79 0.27 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 73.03 110.894 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -174.83 -35.52 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 71.22 110.865 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.72 159.11 44.16 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.593 0.711 . . . . 73.31 110.882 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -23.11 31.19 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.659 2.239 . . . . 61.13 112.356 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.25 17.44 8.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 73.23 110.874 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -112.68 161.93 16.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 74.41 110.885 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.826 HG13 HG21 ' A' ' 46' ' ' VAL . 8.2 t -122.96 111.93 31.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 75.14 111.102 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.496 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.57 122.58 22.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 63.14 111.193 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.587 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -129.66 152.49 49.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.248 -0.433 . . . . 74.51 110.913 179.916 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.5 mmtm -113.73 127.11 55.9 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.23 -0.441 . . . . 73.32 110.902 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 ttpp -41.14 104.45 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 74.02 110.927 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.17 30.6 3.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.717 -0.754 . . . . 64.53 112.512 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.556 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.93 160.05 32.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.787 0.327 . . . . 74.14 110.858 -179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.576 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -107.61 142.78 19.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 62.24 111.114 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.06 160.4 36.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.12 110.897 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -99.62 112.58 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 71.41 111.136 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.776 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.58 144.63 56.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.44 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.3 OUTLIER -118.82 -60.65 1.74 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.164 -0.471 . . . . 73.44 110.925 179.85 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.35 -69.9 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 72.34 110.858 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.574 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.26 18.21 10.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 73.34 110.873 -179.828 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.5 m -99.73 -33.02 10.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 61.25 111.171 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -97.53 99.92 11.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.33 110.876 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.9 tttt -48.34 -50.35 30.76 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.475 . . . . 74.12 110.906 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -49.12 -45.72 43.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 74.43 110.857 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.9 m95 -141.72 117.36 10.34 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 74.42 110.936 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.9 m0 -98.36 106.97 19.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.275 -0.421 . . . . 74.31 110.938 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.78 128.86 39.32 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 71.42 110.917 179.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.776 HG12 ' HA ' ' A' ' 33' ' ' LEU . 14.6 m -141.84 170.79 12.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 73.23 111.167 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.543 ' HB2' HD11 ' A' ' 34' ' ' LEU . 53.2 tt0 -122.2 126.96 49.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 44.24 110.876 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.826 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.54 131.37 21.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.182 -0.463 . . . . 63.13 111.152 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.47 67.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 53.24 110.91 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 41.42 36.19 0.51 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.231 -0.44 . . . . 70.22 110.885 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -145.96 84.87 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.212 -0.449 . . . . 70.22 110.899 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.485 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -92.89 149.1 21.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 72.5 110.9 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.9 -110.8 0.23 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.755 -0.736 . . . . 50.03 112.498 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.422 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.0 m-85 -140.81 126.14 18.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.885 0.374 . . . . 75.4 110.87 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.601 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.32 136.98 20.51 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.642 0.734 . . . . 73.34 111.156 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.601 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.1 Cg_endo -69.74 118.61 5.78 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.644 2.23 . . . . 75.21 112.379 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.12 -56.74 15.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 71.43 111.058 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.98 -34.08 8.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.246 -0.434 . . . . 74.22 111.117 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -95.49 40.64 1.11 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.218 -0.446 . . . . 75.31 110.959 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.491 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.87 170.67 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.123 -0.49 . . . . 63.23 111.11 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' HG13 ' A' ' 58' ' ' VAL . 2.1 mttt -155.71 114.3 3.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 62.12 110.899 179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.36 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 72.23 110.906 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.576 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.8 mt -121.12 57.18 1.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 74.11 110.885 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.453 ' CG ' HD23 ' A' ' 8' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.439 . . . . 71.43 110.863 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.744 0.307 . . . . 63.22 110.886 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' OD2' HD23 ' A' ' 34' ' ' LEU . 1.2 m-20 72.0 -69.15 0.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.22 -0.445 . . . . 65.31 110.866 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 57.93 35.59 25.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 73.12 110.878 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 84.2 m -156.75 -76.49 0.09 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.148 -0.478 . . . . 54.21 111.139 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 165.81 -85.24 0.1 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.718 -0.754 . . . . 51.35 112.509 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -158.4 156.44 30.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.729 0.299 . . . . 65.3 110.947 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 179.53 152.86 0.43 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 64.43 110.877 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.58 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -136.81 149.59 47.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 74.41 110.922 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.571 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.4 m -147.67 168.66 4.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 72.42 111.111 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.568 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.04 142.52 47.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 60.04 110.923 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.552 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.75 109.4 3.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.224 -0.443 . . . . 70.1 111.142 179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 18.1 tp -80.62 -27.69 37.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.222 -0.444 . . . . 71.4 110.844 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -139.97 135.36 32.68 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.911 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -61.82 99.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 73.44 110.86 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.51 127.18 50.96 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.229 -0.442 . . . . 74.3 110.929 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.489 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -96.51 -21.65 17.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 74.22 110.933 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.4 mm-40 64.15 -162.9 0.27 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 74.45 110.881 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -174.81 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 61.43 110.888 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.57 159.13 44.52 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.658 0.742 . . . . 55.13 110.855 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -23.04 31.45 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.644 2.23 . . . . 55.23 112.406 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.42 17.68 8.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.462 . . . . 71.35 110.871 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.02 161.7 16.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.179 -0.464 . . . . 64.44 110.883 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.3 t -122.87 111.99 32.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 71.31 111.128 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.489 HG23 ' HA ' ' A' ' 16' ' ' GLN . 86.3 m -73.64 123.0 23.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 74.43 111.159 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.576 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.12 152.5 49.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 71.14 110.884 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 mmtt -113.57 127.07 55.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 64.12 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.6 ttpt -41.05 104.57 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.12 110.893 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.2 30.06 4.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.786 -0.721 . . . . 40.13 112.469 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.552 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.39 160.91 29.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.782 0.325 . . . . 75.42 110.887 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.58 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -108.28 142.73 20.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.184 -0.462 . . . . 70.54 111.115 -179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.612 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.52 160.8 34.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.934 179.908 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.5 m -99.7 111.35 23.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 73.13 111.148 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.88 145.65 55.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 70.42 110.913 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.511 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.13 -60.96 1.65 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 60.13 110.892 179.937 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -88.38 -70.04 0.66 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 63.11 110.913 179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.29 17.9 10.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 73.31 110.83 -179.885 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 79.0 m -99.25 -33.02 10.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.52 111.106 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -97.53 99.4 10.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 74.01 110.845 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt -47.48 -50.57 22.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.484 . . . . 65.01 110.92 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 45.2 t0 -48.97 -47.71 43.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.21 -0.45 . . . . 73.45 110.857 179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -139.38 117.16 11.57 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 72.13 110.957 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.3 m0 -98.44 106.33 18.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 72.43 110.921 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.58 129.48 42.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.268 -0.424 . . . . 64.54 110.891 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.4 m -141.59 170.86 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 44.43 111.138 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.511 ' HB2' HD11 ' A' ' 34' ' ' LEU . 44.1 tt0 -122.14 125.76 46.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 65.11 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.4 m -142.32 132.44 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 74.03 111.14 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.75 66.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 72.24 110.876 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.4 t0 41.59 36.19 0.55 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.47 . . . . 75.4 110.829 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.34 85.31 1.65 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 75.53 110.907 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.467 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.88 147.93 22.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.135 -0.484 . . . . 64.33 110.94 -179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.49 -111.19 0.25 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.784 -0.722 . . . . 73.02 112.504 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.9 m-85 -141.25 125.91 17.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.833 0.349 . . . . 75.42 110.906 -179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.19 137.06 20.48 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.634 0.731 . . . . 75.13 111.128 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.7 Cg_endo -69.74 118.21 5.54 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.713 2.275 . . . . 73.42 112.321 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.44 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.98 -56.48 18.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.44 111.131 179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.95 -34.23 8.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 73.0 111.126 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.1 m-85 -95.66 40.74 1.11 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.22 110.893 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.498 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.28 170.68 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 65.42 111.107 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.5 OUTLIER -155.75 114.73 3.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 70.13 110.92 179.88 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.56 91.23 0.08 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.197 -0.456 . . . . 63.54 110.85 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD12 ' HB2' ' A' ' 10' ' ' LEU . 8.0 mt -120.71 56.81 0.99 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.446 . . . . 61.43 110.912 179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.486 ' CG ' HD23 ' A' ' 8' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 75.41 110.828 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.729 0.3 . . . . 53.45 110.891 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.47 ' OD1' HD23 ' A' ' 34' ' ' LEU . 1.2 m-20 71.87 -69.11 0.2 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.257 -0.429 . . . . 71.15 110.89 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 58.2 35.53 25.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.468 . . . . 72.13 110.865 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 85.8 m -157.12 -76.45 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.137 -0.483 . . . . 52.03 111.162 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 166.03 -85.5 0.1 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.764 -0.732 . . . . 65.13 112.524 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -158.37 156.55 30.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.708 0.289 . . . . 61.32 110.934 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 179.45 153.9 0.46 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.247 -0.433 . . . . 70.25 110.907 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.57 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -137.65 149.8 46.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.128 -0.487 . . . . 74.15 110.899 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.574 ' O ' HD13 ' A' ' 30' ' ' ILE . 22.5 m -147.83 168.9 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 75.42 111.165 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.578 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -118.12 142.8 47.04 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.95 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.553 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -67.92 109.3 3.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 71.13 111.094 179.814 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.516 ' O ' HD23 ' A' ' 12' ' ' LEU . 6.7 tt -80.5 -27.48 37.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.12 110.955 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -140.22 135.35 32.27 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.186 -0.461 . . . . 75.51 110.929 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -61.79 99.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 74.21 110.868 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -103.44 127.05 50.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 62.32 110.907 -179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.492 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -96.32 -21.78 17.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.068 -0.514 . . . . 73.41 110.932 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.426 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.3 mm-40 64.34 -162.8 0.27 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 71.23 110.881 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.4 mttp -174.92 -35.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 52.11 110.869 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.64 159.14 44.3 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.708 0.766 . . . . 52.45 110.856 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -22.95 31.08 Favored 'Trans proline' 0 C--O 1.232 0.21 0 C-N-CA 122.715 2.277 . . . . 52.45 112.277 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.46 17.51 8.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 74.5 110.858 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -112.81 161.66 16.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 73.41 110.901 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.865 HG13 HG21 ' A' ' 46' ' ' VAL . 9.2 t -122.82 111.98 32.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 53.23 111.143 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.492 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.7 m -73.53 122.93 22.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 54.23 111.158 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.575 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.04 152.49 49.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 74.5 110.888 179.866 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.3 mmtt -113.53 127.0 55.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 65.53 110.873 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 ttpp -41.05 104.61 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 70.44 110.907 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.18 30.02 4.05 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.694 -0.765 . . . . 63.43 112.451 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.553 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -126.46 160.58 30.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 64.43 110.869 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.574 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -107.95 142.72 19.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 74.45 111.143 179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.62 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.38 160.8 34.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 71.43 110.916 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 m -99.48 111.25 23.63 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 74.43 111.171 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.777 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -64.82 145.71 55.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 72.43 110.935 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.515 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.4 OUTLIER -120.52 -60.97 1.63 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 55.33 110.891 179.885 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -88.29 -70.12 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 61.4 110.931 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.606 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.18 18.35 10.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 62.03 110.87 -179.834 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 83.6 m -99.64 -33.14 10.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.143 -0.48 . . . . 73.14 111.168 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t-20 -97.05 99.47 10.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 63.41 110.944 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 tttm -47.79 -50.48 25.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 61.54 110.933 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -48.93 -45.78 42.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 72.13 110.846 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.0 m95 -142.28 117.55 10.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.469 . . . . 74.23 110.9 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.487 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.9 m0 -98.47 107.06 19.43 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.207 -0.451 . . . . 62.03 110.939 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.427 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 10.3 ttmt -58.69 129.75 43.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 71.23 110.899 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.777 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.7 m -141.71 170.81 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 73.32 111.096 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.515 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.02 125.83 47.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.888 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.865 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -142.34 132.51 23.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 62.43 111.126 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.71 66.45 0.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 72.22 110.881 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.5 t70 41.56 36.24 0.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 65.02 110.832 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.43 85.28 1.65 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 62.43 110.882 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.451 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.74 147.68 22.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 75.44 110.918 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -164.18 -111.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 72.03 112.487 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.427 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 27.5 m-85 -141.37 126.22 18.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 73.3 110.891 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.62 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.28 137.06 20.51 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.688 0.756 . . . . 53.41 111.114 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.603 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.76 118.9 5.95 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.666 2.244 . . . . 74.11 112.4 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.43 -56.76 15.11 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.234 -0.439 . . . . 61.22 111.082 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.85 -34.27 8.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 62.03 111.11 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -95.66 40.89 1.11 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 73.35 110.895 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.499 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -148.34 170.67 2.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 64.31 111.164 179.894 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.466 ' N ' HG13 ' A' ' 58' ' ' VAL . 8.1 mttt -155.97 114.58 3.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 52.12 110.881 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.4 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.243 -0.435 . . . . 75.04 110.878 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.578 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.7 mt -121.2 57.13 1.01 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 72.22 110.936 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' CG ' HD23 ' A' ' 8' ' ' LEU . 1.8 t70 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 75.04 110.885 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 mmt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.809 0.338 . . . . 75.52 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.729 ' N ' HD23 ' A' ' 34' ' ' LEU . 19.8 t0 63.71 102.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 64.4 110.873 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -155.97 55.58 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 73.31 110.909 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.714 HG21 ' OG1' ' A' ' 37' ' ' THR . 3.5 m -161.72 -39.31 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.134 -0.484 . . . . 73.35 111.136 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -179.75 90.11 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 72.03 112.462 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.07 116.44 19.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.758 0.313 . . . . 74.53 110.921 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -146.83 -173.21 4.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 72.24 110.88 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.602 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.5 pp -124.53 155.65 38.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 72.25 110.915 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.512 ' O ' HD13 ' A' ' 30' ' ' ILE . 31.9 m -150.32 163.7 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 72.12 111.133 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.778 HD13 ' O ' ' A' ' 29' ' ' ASP . 1.6 mm? -115.76 140.35 49.29 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.152 -0.476 . . . . 64.12 110.956 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -66.32 109.75 2.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.446 . . . . 43.32 111.132 179.793 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.34 -25.37 36.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 74.31 110.913 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.3 t80 -142.11 134.3 27.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 64.5 110.912 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.9 101.48 0.21 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.118 -0.492 . . . . 61.32 110.849 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -105.68 128.11 53.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 75.32 110.909 -179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.483 ' HA ' HG23 ' A' ' 24' ' ' THR . 16.0 mp0 -97.2 -21.78 17.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 74.12 110.911 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.424 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 44.6 mm-40 64.43 -163.07 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.185 -0.461 . . . . 51.21 110.906 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.95 -35.56 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 72.52 110.905 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.22 159.07 45.62 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.647 0.737 . . . . 63.13 110.844 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 -23.07 31.31 Favored 'Trans proline' 0 N--CA 1.466 -0.143 0 C-N-CA 122.685 2.257 . . . . 73.41 112.401 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.7 18.13 7.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 73.22 110.859 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -113.25 161.64 16.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 52.4 110.919 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.843 HG13 HG21 ' A' ' 46' ' ' VAL . 10.6 t -123.09 112.29 33.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 73.34 111.159 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.483 HG23 ' HA ' ' A' ' 16' ' ' GLN . 85.4 m -73.46 124.03 25.03 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 53.34 111.132 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.542 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.79 152.53 50.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.44 110.841 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.22 126.32 54.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.15 110.887 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.4 ttpt -41.41 104.59 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 72.43 110.876 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 108.08 28.05 4.85 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 65.44 112.503 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.778 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.1 OUTLIER -119.57 179.09 4.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.783 0.325 . . . . 64.14 110.856 -179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.512 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.4 OUTLIER -126.21 141.07 46.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.168 -0.469 . . . . 74.54 111.137 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.622 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -134.54 159.42 41.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.46 . . . . 54.41 110.91 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 4.2 m -100.38 113.64 26.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 74.1 111.202 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.774 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.05 145.16 56.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.43 110.894 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.729 HD23 ' N ' ' A' ' 2' ' ' ASP . 0.2 OUTLIER -119.77 -60.91 1.67 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 63.34 110.924 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.43 -70.16 0.64 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 70.31 110.909 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.577 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.22 18.15 10.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 75.12 110.857 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.714 ' OG1' HG21 ' A' ' 4' ' ' THR . 82.1 m -99.47 -33.24 10.75 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 72.42 111.149 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -97.46 99.36 10.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 71.43 110.878 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.3 ttmt -48.01 -49.58 30.5 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 70.1 110.908 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.1 m-20 -49.71 -45.87 49.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.226 -0.443 . . . . 51.12 110.825 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -141.68 117.46 10.43 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.32 110.933 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.483 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.7 m0 -98.48 107.72 20.25 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 75.31 110.909 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.26 129.46 42.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.241 -0.436 . . . . 71.43 110.92 179.904 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.774 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -143.13 167.76 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 55.34 111.158 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.635 ' HB2' HD11 ' A' ' 34' ' ' LEU . 16.7 tt0 -118.79 127.82 53.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 61.33 110.877 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.843 HG21 HG13 ' A' ' 23' ' ' VAL . 5.2 m -143.08 132.04 20.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 75.11 111.162 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.21 67.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 71.1 110.896 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 41.06 37.11 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.182 -0.463 . . . . 62.1 110.804 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.47 86.77 1.55 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 73.41 110.829 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.419 ' HA ' ' HA ' ' A' ' 45' ' ' GLU . 0.0 OUTLIER -93.9 150.79 20.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 52.52 110.895 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -167.36 -110.45 0.23 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.698 -0.763 . . . . 30.44 112.458 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.426 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 26.5 m-85 -141.23 126.07 18.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.886 0.374 . . . . 62.5 110.912 -179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.622 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.87 138.05 21.01 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.636 0.731 . . . . 74.3 111.142 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.73 119.2 6.18 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.733 2.289 . . . . 61.51 112.354 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.422 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.71 -56.72 15.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.439 . . . . 62.11 111.138 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.34 -33.57 9.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 44.22 111.112 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 37.6 m-85 -94.93 39.82 1.1 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.434 . . . . 75.33 110.968 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 59' ' ' LYS . 0.3 OUTLIER -147.35 168.97 4.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 75.43 111.153 179.882 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.436 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -153.74 112.41 3.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.869 179.948 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.55 90.18 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 72.43 110.902 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.563 HD12 ' HG ' ' A' ' 10' ' ' LEU . 30.4 mt -108.81 -75.06 0.64 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.209 -0.45 . . . . 64.32 110.909 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.484 ' O ' HD22 ' A' ' 8' ' ' LEU . 20.2 m-20 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.861 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.5 mtp . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 61.11 110.865 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.48 ' CG ' HD23 ' A' ' 34' ' ' LEU . 3.8 t0 66.57 146.05 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 71.04 110.876 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -162.72 -64.08 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 75.15 110.892 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 14.0 t -132.29 37.78 3.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.473 . . . . 62.53 111.137 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.22 -96.63 1.06 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.723 -0.751 . . . . 72.04 112.525 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 50.86 57.21 6.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.744 0.307 . . . . 72.22 110.915 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -156.04 172.01 19.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.245 -0.434 . . . . 72.11 110.868 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.573 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -129.4 154.22 47.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.131 -0.486 . . . . 64.41 110.938 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.612 ' O ' HD13 ' A' ' 30' ' ' ILE . 24.1 m -146.5 166.43 7.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 70.2 111.123 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.767 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.1 mm? -114.2 142.32 46.41 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 73.24 110.91 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB1' ' HG3' ' A' ' 25' ' ' MET . . . -68.78 111.87 5.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 43.12 111.073 179.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.735 HD13 ' O ' ' A' ' 12' ' ' LEU . 2.2 tm? -84.66 -29.65 25.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.448 . . . . 74.2 110.934 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -136.88 137.98 40.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.161 -0.472 . . . . 71.0 110.915 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -72.54 98.78 2.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 70.12 110.86 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -102.02 131.82 48.23 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.191 -0.459 . . . . 72.35 110.939 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.8 mt-30 -97.26 18.11 15.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.087 -0.506 . . . . 55.43 110.916 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 43.19 -161.52 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 53.24 110.917 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.33 -41.74 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 71.22 110.918 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.73 162.3 24.69 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.687 0.756 . . . . 65.13 110.854 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -24.46 29.44 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.727 2.284 . . . . 75.31 112.319 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.24 19.81 8.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 50.14 110.873 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -112.59 162.68 15.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 72.51 110.873 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.907 HG13 HG21 ' A' ' 46' ' ' VAL . 5.8 t -119.68 132.85 68.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.11 111.134 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 77.4 m -68.26 117.28 9.86 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 75.22 111.153 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.575 ' HG3' ' HB1' ' A' ' 11' ' ' ALA . 16.3 tpp -101.12 129.53 47.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.242 -0.436 . . . . 64.44 110.892 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 27' ' ' LYS . 1.6 mmtm -121.54 98.73 6.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.225 -0.443 . . . . 74.43 110.88 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' A' ' 26' ' ' LYS . 24.2 tttt -36.38 108.59 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 70.33 110.95 179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 102.26 32.01 5.08 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.755 -0.736 . . . . 72.43 112.53 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.767 ' O ' HD13 ' A' ' 10' ' ' LEU . 1.0 OUTLIER -131.37 -177.42 4.39 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.834 0.35 . . . . 75.12 110.88 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.612 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -130.33 141.01 47.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.457 . . . . 74.44 111.121 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.501 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.85 157.19 43.54 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.2 -0.455 . . . . 60.35 110.951 179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 5.9 m -97.17 110.36 22.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 71.42 111.121 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.752 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.7 mm? -62.25 144.78 55.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.203 -0.453 . . . . 65.42 110.899 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD13 HE21 ' A' ' 50' ' ' GLN . 6.5 mt -119.7 -59.78 1.78 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.158 -0.473 . . . . 65.21 110.872 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -89.13 -70.01 0.68 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 74.52 110.846 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.495 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.3 17.88 10.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 71.41 110.848 -179.807 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 88.3 m -99.11 -32.6 11.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 60.24 111.143 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -98.4 100.13 11.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 75.52 110.872 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 49.1 tttt -48.23 -50.07 30.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.464 . . . . 74.01 110.879 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -49.42 -47.84 47.72 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.44 . . . . 70.41 110.879 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 83.0 m95 -138.05 117.09 12.51 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.249 -0.432 . . . . 75.23 110.932 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.488 ' O ' HG13 ' A' ' 44' ' ' VAL . 21.6 m0 -98.14 105.86 18.06 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.434 . . . . 73.33 110.938 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.437 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -59.43 130.8 48.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 62.45 110.91 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.752 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.9 m -142.46 171.66 9.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 63.41 111.162 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.504 ' HB2' HD11 ' A' ' 34' ' ' LEU . 15.5 tt0 -121.09 123.67 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 75.54 110.874 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.907 HG21 HG13 ' A' ' 23' ' ' VAL . 3.4 m -140.52 132.15 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.12 -0.491 . . . . 65.21 111.154 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.53 67.05 0.54 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 72.02 110.896 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 15.4 t0 40.94 37.21 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 72.54 110.882 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.6 85.95 1.59 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.906 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.555 HE21 HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.18 144.74 25.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.253 -0.431 . . . . 73.01 110.909 -179.907 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -160.61 -112.93 0.3 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.701 -0.761 . . . . 61.14 112.476 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.437 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 32.1 m-85 -143.27 125.26 15.25 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.894 0.378 . . . . 72.01 110.892 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.607 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -111.88 141.7 25.3 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.629 0.728 . . . . 73.03 111.1 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.607 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.3 Cg_endo -69.82 119.68 6.58 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.665 2.244 . . . . 71.51 112.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.453 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -63.2 -56.14 19.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 44.24 111.101 179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.38 -32.96 8.3 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 70.11 111.065 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.472 ' O ' ' HE3' ' A' ' 25' ' ' MET . 28.9 m-85 -94.31 39.97 1.09 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.259 -0.428 . . . . 74.33 110.91 -179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.485 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.61 171.45 3.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.121 -0.49 . . . . 74.21 111.115 179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' HG13 ' A' ' 58' ' ' VAL . 3.3 ttpt -153.88 113.15 3.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 72.34 110.881 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.9 90.16 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.883 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.628 HD12 ' HG ' ' A' ' 10' ' ' LEU . 15.4 mt -117.04 52.38 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.229 -0.442 . . . . 74.04 110.912 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 63.32 110.872 179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mtt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.798 0.332 . . . . 74.43 110.905 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.759 ' OD2' HD22 ' A' ' 34' ' ' LEU . 0.7 OUTLIER 71.25 -70.11 0.17 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.227 -0.442 . . . . 72.24 110.873 179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' CB ' ' O ' ' A' ' 2' ' ' ASP . 0.4 OUTLIER 77.26 -49.24 0.53 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 62.2 110.899 -179.861 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -162.79 70.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.13 111.149 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.81 -101.89 1.91 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 41.12 112.495 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 48.7 68.55 0.68 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.761 0.315 . . . . 55.21 110.899 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -169.82 163.44 9.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.24 -0.436 . . . . 73.22 110.887 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.606 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -133.56 153.08 51.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.171 -0.468 . . . . 73.1 110.926 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.8 m -146.02 166.89 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.54 111.124 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.696 HD13 ' O ' ' A' ' 29' ' ' ASP . 3.6 mm? -115.87 143.87 44.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 55.21 110.908 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.569 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -70.21 107.27 3.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 41.43 111.1 179.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.623 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.53 -26.02 45.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 74.32 110.923 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 9.9 t80 -142.53 132.67 24.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.941 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.54 103.75 0.45 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.853 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -110.11 126.46 54.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.176 -0.465 . . . . 73.24 110.914 -179.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.466 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.2 mp0 -96.72 20.67 10.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.125 -0.489 . . . . 64.42 110.889 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 44.21 -162.35 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.25 110.934 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -177.89 -40.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.13 110.917 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -95.05 163.03 22.99 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.691 0.757 . . . . 55.42 110.857 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 -26.12 27.92 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.698 2.265 . . . . 62.03 112.356 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.58 21.57 8.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.478 . . . . 75.14 110.856 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -112.16 163.8 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.35 110.889 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.951 HG13 HG21 ' A' ' 46' ' ' VAL . 9.0 t -121.66 129.77 75.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 64.11 111.118 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.466 HG23 ' HA ' ' A' ' 16' ' ' GLN . 5.1 m -85.05 125.16 32.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 63.24 111.112 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.409 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.35 151.23 51.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 74.41 110.889 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.508 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.8 mttm -117.7 129.87 55.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.188 -0.46 . . . . 71.42 110.884 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 43.4 tttm -43.33 103.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.227 -0.442 . . . . 61.31 110.9 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.59 28.36 5.14 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.773 -0.727 . . . . 63.33 112.51 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.696 ' O ' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -121.46 170.39 9.7 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.78 0.324 . . . . 72.31 110.904 -179.958 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -120.15 142.34 36.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 71.15 111.156 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.494 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -132.17 160.74 35.19 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 75.13 110.895 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.3 m -99.25 107.75 20.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.164 -0.471 . . . . 64.4 111.127 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.746 ' HA ' HG12 ' A' ' 44' ' ' VAL . 2.9 mm? -60.19 148.0 37.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 70.34 110.891 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.759 HD22 ' OD2' ' A' ' 2' ' ' ASP . 30.1 mt -122.36 -60.45 1.55 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 53.32 110.932 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -89.5 -70.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 52.0 110.872 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.581 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.98 17.79 9.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.454 . . . . 34.12 110.859 -179.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.3 m -99.18 -33.65 10.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 71.31 111.148 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -96.86 99.54 11.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 71.43 110.855 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.6 ttpt -47.08 -50.87 19.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 74.42 110.861 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 39.3 t0 -48.82 -48.03 41.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.272 -0.422 . . . . 34.44 110.866 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 85.4 m95 -138.7 116.99 11.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 74.52 110.888 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.486 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.1 m0 -98.56 105.46 17.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 72.04 110.912 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -58.83 134.04 56.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.275 -0.421 . . . . 71.33 110.901 179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.746 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.6 m -142.31 179.01 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 63.51 111.129 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -127.5 121.36 30.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 74.21 110.891 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.951 HG21 HG13 ' A' ' 23' ' ' VAL . 2.7 m -139.8 131.24 32.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.147 -0.478 . . . . 75.23 111.128 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.68 66.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.41 110.886 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 41.02 37.27 0.52 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 73.5 110.851 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -146.22 86.01 1.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 73.43 110.856 -179.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -89.62 141.44 28.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 75.24 110.914 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.28 -114.7 0.47 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.74 -0.743 . . . . 31.25 112.517 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 29.8 m-85 -143.24 125.13 15.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.86 0.362 . . . . 60.41 110.883 -179.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.661 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -110.05 139.75 21.67 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.588 0.709 . . . . 65.5 111.122 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.661 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.4 Cg_endo -69.78 118.25 5.57 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.655 2.236 . . . . 74.41 112.348 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.74 -54.74 38.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 65.34 111.1 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.11 -34.49 9.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 75.54 111.093 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -95.51 40.14 1.11 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 75.22 110.936 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.489 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.86 170.0 3.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.074 -0.512 . . . . 72.33 111.1 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.581 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -156.55 114.94 3.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.189 -0.46 . . . . 71.02 110.929 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.44 91.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 75.3 110.906 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 HD12 ' CB ' ' A' ' 10' ' ' LEU . 13.6 mt -118.14 53.96 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.227 -0.442 . . . . 73.41 110.939 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.362 0 CA-C-N 116.161 -0.472 . . . . 75.54 110.888 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 mtt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.814 0.34 . . . . 70.1 110.872 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -105.52 -78.8 0.57 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 64.43 110.876 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 46.06 35.96 2.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.867 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.4 m -107.23 -76.51 0.61 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 70.23 111.138 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.52 -90.03 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.707 -0.759 . . . . 71.13 112.474 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.95 150.28 22.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.764 0.316 . . . . 71.04 110.887 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 179.58 144.6 0.17 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 75.21 110.866 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.585 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -135.66 151.31 50.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.465 . . . . 61.24 110.952 -179.948 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.602 ' O ' HD13 ' A' ' 30' ' ' ILE . 25.8 m -148.15 168.7 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 74.3 111.146 179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.16 143.46 45.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 55.14 110.92 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD1' ' A' ' 29' ' ' ASP . . . -69.35 107.82 3.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 71.12 111.099 179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 17.1 tp -78.92 -27.5 43.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 74.33 110.935 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 17.1 t80 -139.68 133.79 31.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 74.01 110.891 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -62.28 95.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 62.43 110.884 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -98.32 128.94 44.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 71.44 110.896 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.468 ' HA ' HG23 ' A' ' 24' ' ' THR . 2.0 mp0 -96.79 -22.05 17.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 74.31 110.917 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.3 mm-40 64.21 -163.16 0.27 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 62.11 110.928 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.06 -35.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 62.23 110.922 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 159.1 44.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.709 0.766 . . . . 73.01 110.799 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -23.13 30.96 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.725 2.283 . . . . 75.54 112.31 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.21 17.1 8.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 64.43 110.832 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -112.33 161.73 16.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 60.33 110.934 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.857 HG13 HG21 ' A' ' 46' ' ' VAL . 13.2 t -123.27 111.85 31.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 75.3 111.135 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.468 HG23 ' HA ' ' A' ' 16' ' ' GLN . 82.0 m -72.91 124.73 26.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 75.34 111.133 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.607 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.97 151.6 51.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.223 -0.444 . . . . 75.24 110.853 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 2.2 mttt -112.39 128.7 56.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 73.33 110.891 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.0 ttmm -42.74 104.51 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.23 110.923 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 107.6 30.55 4.01 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.761 -0.733 . . . . 71.13 112.499 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD1' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -125.97 162.42 25.29 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.809 0.337 . . . . 72.45 110.824 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.602 HD13 ' O ' ' A' ' 9' ' ' VAL . 0.2 OUTLIER -110.33 142.22 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 62.44 111.139 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.623 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.01 160.51 34.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 50.32 110.898 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.8 m -99.14 110.73 23.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.197 -0.456 . . . . 64.45 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.763 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -62.82 146.29 52.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 71.32 110.944 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.554 HD11 ' HB2' ' A' ' 45' ' ' GLU . 42.5 mt -120.54 -59.97 1.71 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.92 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.0 t-20 -90.88 -70.04 0.7 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 71.45 110.871 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.579 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.5 OUTLIER 67.93 17.94 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 64.12 110.84 -179.836 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 75.7 m -99.58 -33.31 10.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 62.32 111.111 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t-20 -96.81 99.47 11.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 74.43 110.901 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.9 tttt -47.54 -50.8 22.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 51.21 110.894 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.71 -45.99 40.06 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.223 -0.444 . . . . 74.34 110.861 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.6 m95 -142.08 117.61 10.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 72.11 110.891 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.8 m0 -98.67 106.38 18.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.254 -0.43 . . . . 75.53 110.886 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.408 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.0 OUTLIER -57.46 132.86 54.4 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 74.01 110.921 179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.763 HG12 ' HA ' ' A' ' 33' ' ' LEU . 15.8 m -143.85 172.81 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 74.11 111.133 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' HB2' HD11 ' A' ' 34' ' ' LEU . 54.8 tt0 -124.65 124.41 42.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 73.1 110.86 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.857 HG21 HG13 ' A' ' 23' ' ' VAL . 3.9 m -140.85 130.85 26.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.129 -0.487 . . . . 61.43 111.096 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.63 67.28 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 60.04 110.88 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 41.54 35.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 53.11 110.837 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.65 84.19 1.73 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 63.44 110.874 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -91.25 146.41 23.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.143 -0.48 . . . . 55.24 110.916 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -163.24 -112.23 0.27 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.764 -0.732 . . . . 65.22 112.505 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.408 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 31.3 m-85 -141.46 126.27 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 73.2 110.869 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.623 HG21 HD13 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -110.21 137.42 20.58 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.641 0.734 . . . . 75.34 111.111 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.61 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.6 Cg_endo -69.74 118.91 5.96 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.686 2.257 . . . . 74.4 112.36 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.434 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.08 -57.06 12.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.32 111.067 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.08 -33.98 8.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 52.15 111.14 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 47.8 m-85 -95.32 40.27 1.11 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.444 . . . . 62.32 110.94 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.487 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -147.79 170.21 3.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.496 . . . . 74.31 111.088 179.959 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.0 OUTLIER -156.11 114.83 3.43 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.24 110.876 179.894 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 91.13 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.253 -0.43 . . . . 63.14 110.922 179.826 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.9 mt -120.9 56.2 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.22 110.927 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 55.42 110.863 179.879 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.405 ' HB2' HD21 ' A' ' 34' ' ' LEU . 29.7 mtm . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.795 0.331 . . . . 64.54 110.874 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -167.62 -76.96 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 75.0 110.847 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 50.71 28.57 3.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 73.44 110.901 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.2 m -162.7 32.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 62.12 111.156 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 88.73 99.13 0.99 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.76 -0.733 . . . . 74.51 112.478 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.66 115.77 15.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.69 0.281 . . . . 65.45 110.925 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -136.39 174.67 10.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 75.22 110.87 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.598 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.8 OUTLIER -130.48 149.01 52.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.145 -0.479 . . . . 63.04 110.9 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.581 ' O ' HD13 ' A' ' 30' ' ' ILE . 21.1 m -145.45 168.47 8.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.138 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.572 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.0 mm? -117.56 143.94 45.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.11 110.894 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.568 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -69.79 107.85 3.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 74.24 111.083 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.479 HD13 ' HG3' ' A' ' 59' ' ' LYS . 18.1 tp -78.76 -27.73 44.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 74.04 110.914 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -139.37 133.47 31.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.219 -0.446 . . . . 71.12 110.934 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -61.8 96.11 0.06 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 52.5 110.88 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.35 128.95 45.52 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.189 -0.46 . . . . 74.32 110.926 -179.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.521 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.1 OUTLIER -98.25 -21.09 16.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 65.24 110.942 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.425 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.0 mm-40 64.43 170.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 70.4 110.899 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.7 mmtt -153.55 23.79 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 74.53 110.877 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.92 157.85 34.14 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.685 0.755 . . . . 51.4 110.848 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -25.21 29.1 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.713 2.275 . . . . 72.52 112.364 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -88.22 13.43 11.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.867 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -112.33 163.81 13.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 63.12 110.945 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.749 HG13 HG21 ' A' ' 46' ' ' VAL . 7.8 t -123.33 111.37 29.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 64.33 111.139 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.521 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.1 m -73.06 121.96 21.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 71.45 111.113 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.56 ' HE1' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.38 152.98 46.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.249 -0.432 . . . . 75.45 110.906 179.87 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -113.79 128.28 56.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.238 -0.437 . . . . 54.05 110.89 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.8 ttpp -41.91 104.28 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.245 -0.434 . . . . 73.2 110.925 179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 106.79 32.22 3.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.738 -0.744 . . . . 31.0 112.509 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.568 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -127.49 158.49 37.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.787 0.327 . . . . 75.53 110.869 -179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.598 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -106.49 142.13 20.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 72.43 111.132 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.549 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -131.54 159.75 37.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 62.04 110.898 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -99.0 112.95 24.92 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.135 -0.484 . . . . 73.52 111.122 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.765 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.6 mm? -65.73 143.57 57.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.213 -0.449 . . . . 75.32 110.963 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.482 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -117.94 -60.84 1.76 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.263 -0.426 . . . . 74.22 110.899 179.896 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -87.77 -69.64 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 62.21 110.893 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.17 17.44 10.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 51.24 110.864 -179.881 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 65.5 m -99.45 -33.13 10.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.103 -0.499 . . . . 45.21 111.097 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 7.3 t-20 -97.22 98.97 10.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 70.34 110.925 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -47.87 -50.16 27.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 64.22 110.873 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -49.01 -47.6 44.38 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.873 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -139.73 117.35 11.51 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.158 -0.474 . . . . 74.12 110.9 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.484 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.4 m0 -98.03 108.04 20.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.311 -0.404 . . . . 75.32 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -59.79 128.28 36.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.445 . . . . 73.01 110.907 179.906 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.765 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -143.74 167.6 12.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.273 -0.422 . . . . 71.5 111.163 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.482 ' HB2' HD11 ' A' ' 34' ' ' LEU . 36.4 tt0 -119.75 130.37 54.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 44.33 110.906 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.749 HG21 HG13 ' A' ' 23' ' ' VAL . 4.5 m -144.34 129.06 14.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 63.04 111.152 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.39 71.35 0.18 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.145 -0.479 . . . . 61.42 110.868 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 40.36 36.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 71.52 110.91 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.37 87.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 71.03 110.887 -179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.417 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -98.62 155.27 17.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 73.13 110.911 -179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.58 -109.52 0.24 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.804 -0.712 . . . . 51.21 112.543 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.443 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 28.6 m-85 -142.38 124.78 15.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.908 0.385 . . . . 74.2 110.892 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.615 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.75 138.09 20.21 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.653 0.739 . . . . 74.2 111.117 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.615 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.3 Cg_endo -69.72 117.84 5.32 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.729 2.286 . . . . 74.03 112.357 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -61.16 -56.22 23.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.274 -0.421 . . . . 75.11 111.151 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.91 -34.21 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 55.22 111.121 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 46.6 m-85 -95.34 40.9 1.1 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 73.14 110.97 -179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.493 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -146.54 170.54 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 72.43 111.153 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.479 ' HG3' HD13 ' A' ' 12' ' ' LEU . 8.0 mmtp -155.14 114.28 3.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 65.21 110.855 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.38 91.03 0.07 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 62.12 110.902 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.572 HD12 ' HB2' ' A' ' 10' ' ' LEU . 6.9 mt -122.86 57.53 1.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 71.1 110.899 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 71.14 110.857 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mtm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.773 0.32 . . . . 54.42 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.444 ' CA ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER 76.07 -43.84 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 73.04 110.897 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 50.92 63.26 2.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 74.31 110.885 -179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 9.3 t 37.98 42.56 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.202 -0.454 . . . . 73.22 111.161 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.68 70.3 0.43 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.753 -0.737 . . . . 54.21 112.464 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.39 116.66 32.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.706 0.288 . . . . 74.15 110.908 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.73 -177.99 4.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.242 -0.435 . . . . 72.2 110.876 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.644 ' HG ' HD12 ' A' ' 30' ' ' ILE . 0.7 OUTLIER -134.99 147.33 49.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 75.15 110.975 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.609 ' O ' HD13 ' A' ' 30' ' ' ILE . 30.2 m -148.93 167.39 3.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 63.42 111.177 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.801 HD13 ' O ' ' A' ' 29' ' ' ASP . 2.8 mm? -114.58 141.12 48.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 73.34 110.931 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.29 107.44 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.13 111.106 179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.626 ' O ' HD23 ' A' ' 12' ' ' LEU . 7.1 tt -78.14 -27.97 48.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.195 -0.457 . . . . 63.21 110.922 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -139.07 133.85 32.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 74.34 110.912 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.61 94.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.153 -0.476 . . . . 74.2 110.871 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.436 ' O ' HG23 ' A' ' 24' ' ' THR . 0.4 OUTLIER -97.03 130.25 44.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 75.42 110.916 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' HA ' HG23 ' A' ' 24' ' ' THR . 0.0 OUTLIER -98.97 -20.59 16.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 72.42 110.927 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.429 ' HG2' ' HA ' ' A' ' 24' ' ' THR . 43.7 mm-40 63.95 171.01 0.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.14 -0.482 . . . . 73.42 110.92 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.16 24.13 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 65.12 110.841 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -151.34 157.8 34.78 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.656 0.741 . . . . 73.02 110.827 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 -24.84 29.37 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.66 2.24 . . . . 74.52 112.346 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.73 15.11 10.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.283 -0.417 . . . . 74.25 110.877 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -113.38 162.97 15.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 73.03 110.922 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.815 HG13 HG21 ' A' ' 46' ' ' VAL . 23.8 t -123.73 112.05 31.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.45 111.103 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.447 HG23 ' HA ' ' A' ' 16' ' ' GLN . 97.2 m -72.97 126.21 29.4 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 54.03 111.131 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.418 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.6 151.55 50.94 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.11 110.88 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.17 126.11 54.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.224 -0.444 . . . . 75.02 110.886 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -40.52 106.63 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 74.05 110.879 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.82 24.21 7.43 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.746 -0.74 . . . . 74.42 112.473 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.801 ' O ' HD13 ' A' ' 10' ' ' LEU . 4.7 m-20 -114.06 -179.11 3.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.821 0.343 . . . . 71.35 110.841 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.644 HD12 ' HG ' ' A' ' 8' ' ' LEU . 0.2 OUTLIER -130.91 139.18 51.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 63.45 111.14 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.593 HD13 HG21 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -130.75 160.07 35.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.143 -0.48 . . . . 74.43 110.964 179.885 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 m -98.8 110.72 23.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.14 111.087 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.741 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.1 mm? -62.2 144.56 55.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.242 -0.435 . . . . 74.11 110.932 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.592 HD13 ' NE2' ' A' ' 50' ' ' GLN . 2.9 mt -119.74 -60.62 1.7 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.193 -0.458 . . . . 62.24 110.902 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 -87.8 -70.07 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 64.03 110.883 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.614 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.31 17.63 10.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.467 . . . . 71.53 110.848 -179.887 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.2 m -99.31 -33.28 10.79 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.125 -0.489 . . . . 73.03 111.151 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -96.91 99.89 11.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 45.33 110.889 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -48.66 -50.2 34.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 74.52 110.925 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -49.01 -45.81 43.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 65.22 110.877 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -141.86 117.62 10.43 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 74.24 110.876 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.474 ' O ' HG13 ' A' ' 44' ' ' VAL . 23.0 m0 -97.61 107.42 19.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.238 -0.437 . . . . 74.32 110.868 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.457 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.2 OUTLIER -59.93 130.59 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 73.41 110.943 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.741 HG12 ' HA ' ' A' ' 33' ' ' LEU . 11.3 m -142.59 171.37 10.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 65.24 111.154 179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.526 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -122.8 126.62 47.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 55.31 110.87 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.815 HG21 HG13 ' A' ' 23' ' ' VAL . 3.6 m -140.29 126.61 21.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 74.22 111.119 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 39.87 70.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 72.22 110.9 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 41.49 35.54 0.46 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.22 110.901 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.19 83.33 1.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 74.13 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.592 ' NE2' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -93.8 148.85 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 65.42 110.888 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -166.96 -111.81 0.25 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.789 -0.72 . . . . 71.52 112.521 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.457 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 33.5 m-85 -143.47 126.38 16.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.881 0.372 . . . . 74.31 110.898 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.652 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -110.82 139.99 22.23 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.641 0.734 . . . . 44.54 111.138 179.96 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.652 ' HD2' HG22 ' A' ' 53' ' ' VAL . 53.4 Cg_endo -69.81 119.27 6.24 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.693 2.262 . . . . 61.01 112.308 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.435 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.38 -56.46 18.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 52.4 111.085 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.13 -33.83 8.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 53.12 111.091 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 41.5 m-85 -95.22 40.16 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 72.53 110.95 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.466 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.29 170.14 2.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.107 -0.497 . . . . 63.24 111.147 179.916 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.548 ' HG3' HD12 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -155.93 114.21 3.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 72.1 110.907 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.58 90.81 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 75.34 110.933 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.629 HD12 ' HG ' ' A' ' 10' ' ' LEU . 19.8 mt -114.9 51.22 0.92 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 72.33 110.931 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 63.15 110.833 179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.3 mtt . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.762 0.315 . . . . 63.14 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.434 ' HB2' HD23 ' A' ' 34' ' ' LEU . 24.1 t0 -104.05 52.51 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.257 -0.429 . . . . 73.34 110.875 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -142.48 37.68 1.51 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 75.44 110.866 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.475 HG21 ' OG1' ' A' ' 37' ' ' THR . 0.2 OUTLIER -143.02 34.54 1.36 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.141 -0.481 . . . . 71.25 111.116 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 99.6 98.71 2.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.706 -0.759 . . . . 55.22 112.453 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -91.01 125.9 35.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.739 0.305 . . . . 71.35 110.866 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -146.18 -171.49 3.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 74.04 110.905 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 62' ' ' ASP . 0.9 OUTLIER -129.04 151.15 50.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 72.52 110.906 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 58' ' ' VAL . 17.9 m -145.54 166.28 10.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 73.21 111.137 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HB2' HD12 ' A' ' 61' ' ' LEU . 4.1 mm? -117.27 141.96 47.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.169 -0.469 . . . . 73.21 110.946 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.562 ' HB2' ' OD2' ' A' ' 29' ' ' ASP . . . -67.94 109.99 3.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 72.22 111.079 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.718 HD13 ' O ' ' A' ' 12' ' ' LEU . 3.2 tm? -80.26 -29.3 38.35 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.213 -0.449 . . . . 73.05 110.9 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -140.48 135.78 32.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.198 -0.455 . . . . 71.4 110.903 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -61.73 104.13 0.41 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.129 -0.487 . . . . 74.04 110.87 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -109.57 121.79 45.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 74.11 110.954 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.505 ' HA ' HG23 ' A' ' 24' ' ' THR . 3.5 mp0 -95.26 13.86 24.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 62.52 110.929 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 43.77 -161.6 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.174 -0.466 . . . . 73.33 110.888 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -172.9 -41.81 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 71.22 110.9 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.44 163.06 26.0 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.709 0.766 . . . . 64.23 110.81 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -24.29 29.96 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.686 2.258 . . . . 62.43 112.341 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 5.0 ptp85 -92.2 16.54 11.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 62.41 110.877 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -111.13 163.87 13.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.19 -0.459 . . . . 74.14 110.934 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.859 HG13 HG21 ' A' ' 46' ' ' VAL . 3.2 t -120.27 131.83 71.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.202 -0.453 . . . . 73.23 111.11 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.505 HG23 ' HA ' ' A' ' 16' ' ' GLN . 4.4 m -88.48 121.14 30.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 71.03 111.113 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.431 ' SD ' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -127.82 153.94 46.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.436 . . . . 73.55 110.85 179.9 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 11' ' ' ALA . 1.6 mtpt -119.3 128.31 54.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.178 -0.464 . . . . 65.45 110.868 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.7 tttt -40.81 103.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.468 . . . . 74.01 110.876 179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 104.38 35.78 3.26 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.693 -0.765 . . . . 70.31 112.521 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 11' ' ' ALA . 0.0 OUTLIER -131.38 154.02 49.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.753 0.311 . . . . 73.24 110.862 -179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.568 HD12 HD22 ' A' ' 10' ' ' LEU . 5.6 tp -97.31 143.06 13.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 65.2 111.131 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.618 HD22 HG11 ' A' ' 46' ' ' VAL . 2.1 mt -131.67 155.55 47.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.11 110.912 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.8 m -97.49 108.8 21.6 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 70.51 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.784 ' HA ' HG12 ' A' ' 44' ' ' VAL . 3.3 mm? -65.12 146.37 55.07 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.923 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.655 HD11 ' HB2' ' A' ' 45' ' ' GLU . 0.2 OUTLIER -121.5 -61.6 1.51 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 64.34 110.908 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -86.86 -69.84 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.45 . . . . 74.13 110.891 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.559 ' OG ' HD12 ' A' ' 33' ' ' LEU . 0.6 OUTLIER 67.35 18.04 10.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 53.32 110.88 -179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.475 ' OG1' HG21 ' A' ' 4' ' ' THR . 72.4 m -99.93 -33.53 10.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 54.55 111.132 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 6.0 t-20 -96.96 99.3 10.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 63.13 110.887 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 7.2 ttpm? -47.94 -50.51 26.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 65.44 110.857 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -48.92 -46.14 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 54.54 110.826 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 84.1 m95 -141.45 116.99 10.24 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.258 -0.428 . . . . 73.35 110.893 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.508 ' O ' HG13 ' A' ' 44' ' ' VAL . 22.7 m0 -98.09 107.64 20.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.201 -0.454 . . . . 73.24 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HA ' ' HA ' ' A' ' 52' ' ' PHE . 0.1 OUTLIER -58.75 128.56 37.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 65.32 110.904 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.784 HG12 ' HA ' ' A' ' 33' ' ' LEU . 12.4 m -142.57 165.45 16.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 63.22 111.117 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.655 ' HB2' HD11 ' A' ' 34' ' ' LEU . 31.9 tt0 -116.93 128.72 55.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 60.1 110.86 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.859 HG21 HG13 ' A' ' 23' ' ' VAL . 3.1 m -146.22 134.23 15.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 54.31 111.161 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 40.56 66.82 0.57 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 44.11 110.871 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.3 t0 40.5 37.97 0.52 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 75.33 110.895 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.9 89.31 1.59 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 70.33 110.864 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -95.88 149.79 21.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 75.24 110.935 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -165.98 -110.51 0.23 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.767 -0.73 . . . . 72.41 112.528 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.451 ' HA ' ' HA ' ' A' ' 43' ' ' LYS . 23.9 m-85 -142.7 123.73 14.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.921 0.391 . . . . 71.43 110.9 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.655 HG22 ' HD2' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -108.68 139.77 21.17 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-O 121.667 0.746 . . . . 70.35 111.145 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.655 ' HD2' HG22 ' A' ' 53' ' ' VAL . 54.0 Cg_endo -69.75 119.3 6.26 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.695 2.264 . . . . 51.23 112.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.442 ' O ' HG12 ' A' ' 58' ' ' VAL . . . -62.46 -56.14 20.96 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 53.0 111.083 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.33 -33.33 8.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 70.24 111.08 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -94.95 39.91 1.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.227 -0.442 . . . . 73.24 110.958 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.467 HG21 HG21 ' A' ' 9' ' ' VAL . 0.3 OUTLIER -149.02 170.35 2.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.111 -0.495 . . . . 72.41 111.132 179.936 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.457 ' N ' HG13 ' A' ' 58' ' ' VAL . 0.4 OUTLIER -156.18 115.55 3.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.882 179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.68 91.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 62.54 110.92 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.596 HD12 ' HB2' ' A' ' 10' ' ' LEU . 7.3 mt -120.92 57.31 0.98 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.269 -0.423 . . . . 32.14 110.916 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.491 ' CG ' HD23 ' A' ' 8' ' ' LEU . 8.4 t70 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.229 -0.441 . . . . 71.52 110.86 179.892 . . . . . . . . 1 1 . 1 stop_ save_